Package org.jmol.viewer
Class JC
- java.lang.Object
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- org.jmol.viewer.JC
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public final class JC extends java.lang.Object
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Field Summary
Fields Modifier and Type Field Description static java.lang.StringADD_HYDROGEN_TITLEstatic java.lang.StringallowedQuaternionFramesstatic intALPHA_CARBON_VISIBILITY_FLAGstatic int[]altArgbsCpkstatic floatANGSTROMS_PER_BOHRstatic int[]argbsFormalChargestatic intargbsIsosurfaceNegativestatic intargbsIsosurfacePositivestatic int[]argbsRoygbScalestatic int[]argbsRwbScalestatic byteATOMID_ALPHA_CARBONstatic intATOMID_ALPHA_ONLY_MASKstatic byteATOMID_AMINO_NITROGENstatic byteATOMID_C1_PRIMEstatic byteATOMID_C2static byteATOMID_C2_PRIMEstatic byteATOMID_C3_PRIMEstatic byteATOMID_C4static byteATOMID_C4_PRIMEstatic byteATOMID_C5static byteATOMID_C5_PRIMEstatic byteATOMID_C5Mstatic byteATOMID_C6static byteATOMID_C7static byteATOMID_C8static byteATOMID_CARBONYL_CARBONstatic byteATOMID_CARBONYL_OD1static byteATOMID_CARBONYL_OD2static byteATOMID_CARBONYL_OE1static byteATOMID_CARBONYL_OE2static byteATOMID_CARBONYL_OXYGENstatic intATOMID_DISTINGUISHING_ATOM_MAXstatic byteATOMID_H3T_TERMINUSstatic byteATOMID_H5T_TERMINUSstatic byteATOMID_HO3_PRIMEstatic byteATOMID_HO5_PRIMEstatic byteATOMID_N1static byteATOMID_N2static byteATOMID_N3static byteATOMID_N4static byteATOMID_N6static byteATOMID_N7static byteATOMID_N9static intATOMID_NUCLEIC_MASKstatic byteATOMID_NUCLEIC_PHOSPHORUSstatic byteATOMID_O1static byteATOMID_O1Pstatic byteATOMID_O2static byteATOMID_O2_PRIMEstatic byteATOMID_O2Pstatic byteATOMID_O3_PRIMEstatic byteATOMID_O4static byteATOMID_O4_PRIMEstatic byteATOMID_O5_PRIMEstatic byteATOMID_O5T_TERMINUSstatic byteATOMID_O6static byteATOMID_OP1static byteATOMID_OP2static intATOMID_PHOSPHORUS_ONLY_MASKstatic intATOMID_PROTEIN_MASKstatic byteATOMID_S4static byteATOMID_TERMINATING_OXTstatic intAXES_DEFAULT_FONTSIZEstatic javajs.util.V3axisNXstatic javajs.util.V3axisNYstatic javajs.util.V3axisNZstatic javajs.util.V3axisXstatic javajs.util.V3axisYstatic javajs.util.V3axisZstatic java.lang.StringCACTUS_FILE_TYPESstatic javajs.util.V3centerstatic intCIP_CHIRALITY_AXIAL_FLAGstatic intCIP_CHIRALITY_CANTDETERMINEstatic intCIP_CHIRALITY_EZ_FLAGstatic intCIP_CHIRALITY_m_FLAGstatic intCIP_CHIRALITY_M_FLAGstatic intCIP_CHIRALITY_NAME_MASKstatic intCIP_CHIRALITY_NAME_OFFSETstatic intCIP_CHIRALITY_NONEstatic intCIP_CHIRALITY_p_FLAGstatic intCIP_CHIRALITY_P_FLAGstatic intCIP_CHIRALITY_PSEUDO_FLAGstatic intCIP_CHIRALITY_r_FLAGstatic intCIP_CHIRALITY_R_FLAGstatic intCIP_CHIRALITY_s_FLAGstatic intCIP_CHIRALITY_S_FLAGstatic intCIP_CHIRALITY_seqcis_FLAGstatic intCIP_CHIRALITY_seqCis_FLAGstatic intCIP_CHIRALITY_seqtrans_FLAGstatic intCIP_CHIRALITY_seqTrans_FLAGstatic intCIP_CHIRALITY_UNKNOWNstatic java.lang.Stringcopyrightprivate static java.lang.String[]databaseArray(package private) static java.util.Map<java.lang.String,java.lang.String>databasesstatic java.lang.Stringdatestatic shortDEFAULT_BOND_MILLIANGSTROM_RADIUSstatic floatDEFAULT_BOND_RADIUSstatic floatDEFAULT_BOND_TOLERANCEstatic java.lang.StringDEFAULT_DRAG_DROP_SCRIPTstatic java.lang.StringDEFAULT_FONTFACEstatic java.lang.StringDEFAULT_FONTSTYLEstatic java.lang.StringDEFAULT_HELP_PATHstatic floatDEFAULT_MAX_CONNECT_DISTANCEstatic floatDEFAULT_MIN_BOND_DISTANCEstatic floatDEFAULT_MIN_CONNECT_DISTANCEstatic intDEFAULT_PERCENT_VDW_ATOMstatic floatDEFAULT_STRUT_RADIUSstatic java.lang.StringdefaultMacroDirectorystatic intDNA_MASKstatic intECHO_BOTTOMstatic intECHO_MIDDLEstatic intECHO_TOPstatic intECHO_XYstatic intECHO_XYZprivate static java.lang.String[]echoNamesstatic java.lang.StringEMBEDDED_SCRIPT_TAGstatic floatENC_CALC_MAX_DISTstatic intENV_CALC_MAX_LEVELstatic java.lang.StringEXPORT_DRIVER_LISTstatic intFORMAL_CHARGE_COLIX_REDstatic intGROUPID_AMINO_MAXstatic intGROUPID_ARGININEstatic intGROUPID_ASPARAGINEstatic intGROUPID_ASPARTATEstatic intGROUPID_CYSTEINEstatic intGROUPID_GLUTAMATEstatic intGROUPID_GLUTAMINEstatic intGROUPID_HISTIDINEprivate static intGROUPID_ION_MAXprivate static intGROUPID_ION_MINstatic intGROUPID_LYSINEstatic intGROUPID_NUCLEIC_MAXstatic intGROUPID_PROLINEstatic intGROUPID_SOLVENT_MINstatic intGROUPID_TRYPTOPHANstatic intGROUPID_WATERprivate static java.lang.String[]hAlignNamesstatic java.lang.StringIMAGE_OR_SCENEstatic java.lang.StringIMAGE_TYPESstatic java.lang.StringJPEG_EXTENSIONSstatic intJSV_CLOSEstatic intJSV_NOTstatic intJSV_SELECTstatic intJSV_SEND_C13SIMULATEstatic intJSV_SEND_H1SIMULATEstatic intJSV_SEND_JDXMOLstatic intJSV_SETPEAKSstatic intJSV_STRUCTUREprivate static intLABEL_CENTEREDstatic intLABEL_DEFAULT_FONTSIZEstatic intLABEL_DEFAULT_OFFSETstatic intLABEL_DEFAULT_X_OFFSETstatic intLABEL_DEFAULT_Y_OFFSETprivate static intLABEL_EXPLICITstatic intLABEL_FLAGSprivate static intLABEL_FLAGX_OFFSET_SHIFTprivate static intLABEL_FLAGY_OFFSET_SHIFTstatic intLABEL_MAXIMUM_FONTSIZEstatic intLABEL_MINIMUM_FONTSIZEprivate static intLABEL_OFFSET_MASKstatic intLABEL_OFFSET_MAXstatic intLABEL_POINTER_BACKGROUNDprivate static intLABEL_POINTER_FLAGSstatic intLABEL_POINTER_NONEstatic intLABEL_POINTER_ONprivate static intLABEL_ZPOS_FLAGSstatic intLABEL_ZPOS_FRONTstatic intLABEL_ZPOS_GROUP(package private) static java.lang.StringlegacyResolverstatic java.lang.StringLOAD_ATOM_DATA_TYPESstatic java.lang.String[]macrosstatic shortmadMultipleBondSmallMaximumstatic java.lang.StringmajorVersionstatic intMAXIMUM_AUTO_BOND_COUNTstatic intMEASURE_DEFAULT_FONTSIZEstatic floatMINIMIZE_FIXED_RANGEstatic java.lang.StringMODELKIT_ZAP_STRINGstatic java.lang.StringMODELKIT_ZAP_TITLEstatic intMOUSE_NONEstatic byteMULTIBOND_ALWAYSstatic byteMULTIBOND_NEVERstatic byteMULTIBOND_NOTSMALLstatic byteMULTIBOND_WIREFRAMEstatic intNBO_CONFIGstatic intNBO_MODELstatic intNBO_RUNstatic intNBO_SEARCHstatic java.lang.StringNBO_TYPESstatic intNBO_VIEWstatic java.lang.StringNOTE_SCRIPT_FILEstatic booleanofficialReleasestatic intPARTIAL_CHARGE_COLIX_REDstatic intPARTIAL_CHARGE_RANGE_SIZEstatic java.lang.StringPDB_ANNOTATIONSstatic java.lang.String[]predefinedStaticstatic java.lang.String[]predefinedVariablestatic intPURINE_MASKstatic intPYRIMIDINE_MASKstatic floatradiansPerDegreestatic java.lang.StringREADER_NOT_FOUNDstatic java.lang.StringREPAINT_IGNOREstatic intRNA_MASKprivate static java.lang.String[]ruleNamesstatic java.lang.StringSCRIPT_COMPLETEDstatic java.lang.StringSCRIPT_EDITOR_IGNOREstatic intSHAPE_AXESstatic intSHAPE_BACKBONEstatic intSHAPE_BALLSstatic intSHAPE_BBCAGEstatic intSHAPE_CARTOONstatic intSHAPE_CGOstatic intSHAPE_CONTACTstatic intSHAPE_DIPOLESstatic intSHAPE_DOTSstatic intSHAPE_DRAWstatic intSHAPE_ECHOstatic intSHAPE_ELLIPSOIDSstatic intSHAPE_FRANKstatic intSHAPE_GEOSURFACEstatic intSHAPE_HALOSstatic intSHAPE_HOVERstatic intSHAPE_HSTICKSstatic intSHAPE_ISOSURFACEstatic intSHAPE_LABELSprivate static intSHAPE_LAST_ATOM_VIS_FLAGstatic intSHAPE_LCAOCARTOONstatic intSHAPE_MAXstatic intSHAPE_MAX_HAS_IDstatic intSHAPE_MAX_HAS_SETVISstatic intSHAPE_MAX_MESH_COLLECTIONstatic intSHAPE_MAX_SECONDARYstatic intSHAPE_MAX_SIZE_ZERO_ON_RESTRICTstatic intSHAPE_MAX_SPECIALstatic intSHAPE_MAX_SURFACEstatic intSHAPE_MEASURESstatic intSHAPE_MESHRIBBONstatic intSHAPE_MIN_HAS_IDstatic intSHAPE_MIN_HAS_SETVISstatic intSHAPE_MIN_SECONDARYstatic intSHAPE_MIN_SPECIALstatic intSHAPE_MIN_SURFACEstatic intSHAPE_MOstatic intSHAPE_NBOstatic intSHAPE_PLOT3Dstatic intSHAPE_PMESHstatic intSHAPE_POLYHEDRAstatic intSHAPE_RIBBONSstatic intSHAPE_ROCKETSstatic intSHAPE_SSSTICKSstatic intSHAPE_STARSstatic intSHAPE_STICKSstatic intSHAPE_STRANDSstatic intSHAPE_STRUTSstatic intSHAPE_TRACEstatic intSHAPE_UCCAGEstatic intSHAPE_VECTORSstatic java.lang.String[]shapeClassBasesstatic intSMILES_2Dstatic intSMILES_AROMATIC_DEFINEDAROMATIC_DEFINED draws all aromatic bonds from connection definitions It is deprecated, because a=a will set it by itself.static intSMILES_AROMATIC_DOUBLEAROMATIC_DOUBLE allows a distinction between single and double, as for example is necessary to distinguish between n=cNH2 and ncNH2 (necessary for MMFF94 atom typing)static intSMILES_AROMATIC_MMFF94AROMATIC_MMFF94 also raises the strictness level to force all 6- and 7-membered rings to have exactly three double bonds.static intSMILES_AROMATIC_PLANARAROMATIC_PLANAR only invokes planarity (Jmol default through 14.5)static intSMILES_AROMATIC_STRICTAROMATIC_STRICT enforces Hueckel 4+2 rule, not allowing acyclic double bondsstatic intSMILES_FIRST_MATCH_ONLYstatic intSMILES_GEN_ATOM_COMMENTstatic intSMILES_GEN_BIOstatic intSMILES_GEN_BIO_ALLOW_UNMATCHED_RINGSstatic intSMILES_GEN_BIO_COMMENTstatic intSMILES_GEN_BIO_COV_CROSSLINKstatic intSMILES_GEN_BIO_HH_CROSSLINKstatic intSMILES_GEN_BIO_NOCOMMENTSstatic intSMILES_GEN_EXPLICIT_H_ALLstatic intSMILES_GEN_EXPLICIT_H2_ONLYstatic intSMILES_GEN_POLYHEDRALstatic intSMILES_GEN_TOPOLOGYstatic intSMILES_GROUP_BY_MODELstatic intSMILES_IGNORE_ATOM_CLASSstatic intSMILES_IGNORE_STEREOCHEMISTRYstatic intSMILES_INVERT_STEREOCHEMISTRYstatic intSMILES_MAP_UNIQUEstatic intSMILES_NO_AROMATICstatic intSMILES_TYPE_OPENSMARTSstatic intSMILES_TYPE_OPENSMILESstatic intSMILES_TYPE_SMARTSstatic intSMILES_TYPE_SMILESstatic java.lang.StringSTATE_VERSION_STAMPstatic intTEXT_ALIGN_CENTERprivate static intTEXT_ALIGN_FLAGSstatic intTEXT_ALIGN_LEFTstatic intTEXT_ALIGN_NONEstatic intTEXT_ALIGN_RIGHTprivate static intTEXT_ALIGN_SHIFTstatic javajs.util.V3[]unitAxisVectorsstatic intUNITID_ATOMstatic intUNITID_INSCODEstatic intUNITID_MODELstatic intUNITID_RESIDUEstatic intUNITID_TRIMstatic java.lang.Stringversionstatic intversionIntstatic intVIS_BACKBONE_FLAGstatic intVIS_BALLS_FLAGstatic intVIS_BOND_FLAGstatic intVIS_CARTOON_FLAGstatic intVIS_LABEL_FLAGstatic intXY_ZTOPstatic java.lang.StringZAP_TITLE
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Constructor Summary
Constructors Constructor Description JC()
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method Description static java.lang.StringembedScript(java.lang.String s)(package private) static java.lang.StringfixProtocol(java.lang.String name)Check for databases that have changed from http:// to https:// over time.static intgetAlignment(int offset)static intgetCIPChiralityCode(char c)static java.lang.StringgetCIPChiralityName(int flags)static java.lang.StringgetCIPRuleName(int i)static java.lang.StringgetEchoName(int type)static java.lang.StringgetHorizAlignmentName(int align)static intgetNBOTypeFromName(java.lang.String nboType)static intgetOffset(int xOffset, int yOffset, boolean isAbsolute)Construct an 32-bit integer packed with 10-byte x and y offsets (-500 to 500) along with flags to indicate if exact and, if not, a flag to indicate that the 0 in x or y indicates "centered".static intgetPointer(int offset)static java.lang.StringgetPointerName(int pointer)static intgetServiceCommand(java.lang.String script)static java.lang.StringgetShapeClassName(int shapeID, boolean isRenderer)static intgetShapeVisibilityFlag(int shapeID)static intgetUnitIDFlags(java.lang.String type)Get a unitID typestatic intgetXOffset(int offset)X offset in pixels.static intgetYOffset(int offset)Y offset in pixels; negative of this is the actual screen offsetstatic booleanisOffsetAbsolute(int offset)static booleanisSmilesCanonical(java.lang.String options)(package private) static java.lang.StringresolveDataBase(java.lang.String database, java.lang.String id, java.lang.String format)static intsetHorizAlignment(int offset, int hAlign)static intsetPointer(int offset, int pointer)static intsetZPosition(int offset, int pos)static intshapeTokenIndex(int tok)
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Field Detail
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NBO_TYPES
public static final java.lang.String NBO_TYPES
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- Constant Field Values
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CIP_CHIRALITY_UNKNOWN
public static final int CIP_CHIRALITY_UNKNOWN
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- Constant Field Values
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CIP_CHIRALITY_R_FLAG
public static final int CIP_CHIRALITY_R_FLAG
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- Constant Field Values
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CIP_CHIRALITY_S_FLAG
public static final int CIP_CHIRALITY_S_FLAG
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- Constant Field Values
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CIP_CHIRALITY_CANTDETERMINE
public static final int CIP_CHIRALITY_CANTDETERMINE
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- Constant Field Values
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CIP_CHIRALITY_NONE
public static final int CIP_CHIRALITY_NONE
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- Constant Field Values
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CIP_CHIRALITY_EZ_FLAG
public static final int CIP_CHIRALITY_EZ_FLAG
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- Constant Field Values
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CIP_CHIRALITY_PSEUDO_FLAG
public static final int CIP_CHIRALITY_PSEUDO_FLAG
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- Constant Field Values
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CIP_CHIRALITY_AXIAL_FLAG
public static final int CIP_CHIRALITY_AXIAL_FLAG
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- Constant Field Values
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CIP_CHIRALITY_NAME_MASK
public static final int CIP_CHIRALITY_NAME_MASK
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- Constant Field Values
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CIP_CHIRALITY_NAME_OFFSET
public static final int CIP_CHIRALITY_NAME_OFFSET
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- Constant Field Values
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CIP_CHIRALITY_seqCis_FLAG
public static final int CIP_CHIRALITY_seqCis_FLAG
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- Constant Field Values
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CIP_CHIRALITY_seqTrans_FLAG
public static final int CIP_CHIRALITY_seqTrans_FLAG
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- Constant Field Values
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CIP_CHIRALITY_seqcis_FLAG
public static final int CIP_CHIRALITY_seqcis_FLAG
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- Constant Field Values
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CIP_CHIRALITY_seqtrans_FLAG
public static final int CIP_CHIRALITY_seqtrans_FLAG
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- Constant Field Values
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CIP_CHIRALITY_M_FLAG
public static final int CIP_CHIRALITY_M_FLAG
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- Constant Field Values
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CIP_CHIRALITY_P_FLAG
public static final int CIP_CHIRALITY_P_FLAG
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- Constant Field Values
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CIP_CHIRALITY_r_FLAG
public static final int CIP_CHIRALITY_r_FLAG
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- Constant Field Values
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CIP_CHIRALITY_s_FLAG
public static final int CIP_CHIRALITY_s_FLAG
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- Constant Field Values
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CIP_CHIRALITY_m_FLAG
public static final int CIP_CHIRALITY_m_FLAG
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- Constant Field Values
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CIP_CHIRALITY_p_FLAG
public static final int CIP_CHIRALITY_p_FLAG
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- Constant Field Values
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ruleNames
private static final java.lang.String[] ruleNames
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PDB_ANNOTATIONS
public static final java.lang.String PDB_ANNOTATIONS
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- Constant Field Values
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CACTUS_FILE_TYPES
public static final java.lang.String CACTUS_FILE_TYPES
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- Constant Field Values
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defaultMacroDirectory
public static final java.lang.String defaultMacroDirectory
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- Constant Field Values
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databaseArray
private static final java.lang.String[] databaseArray
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legacyResolver
static final java.lang.String legacyResolver
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- Constant Field Values
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databases
static final java.util.Map<java.lang.String,java.lang.String> databases
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macros
public static java.lang.String[] macros
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copyright
public static final java.lang.String copyright
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- Constant Field Values
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version
public static final java.lang.String version
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majorVersion
public static java.lang.String majorVersion
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date
public static final java.lang.String date
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versionInt
public static final int versionInt
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officialRelease
public static final boolean officialRelease
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- Constant Field Values
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DEFAULT_HELP_PATH
public static final java.lang.String DEFAULT_HELP_PATH
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- Constant Field Values
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STATE_VERSION_STAMP
public static final java.lang.String STATE_VERSION_STAMP
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- Constant Field Values
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EMBEDDED_SCRIPT_TAG
public static final java.lang.String EMBEDDED_SCRIPT_TAG
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- Constant Field Values
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NOTE_SCRIPT_FILE
public static final java.lang.String NOTE_SCRIPT_FILE
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- Constant Field Values
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SCRIPT_EDITOR_IGNORE
public static final java.lang.String SCRIPT_EDITOR_IGNORE
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- Constant Field Values
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REPAINT_IGNORE
public static final java.lang.String REPAINT_IGNORE
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- Constant Field Values
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LOAD_ATOM_DATA_TYPES
public static final java.lang.String LOAD_ATOM_DATA_TYPES
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- Constant Field Values
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radiansPerDegree
public static final float radiansPerDegree
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- Constant Field Values
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allowedQuaternionFrames
public static final java.lang.String allowedQuaternionFrames
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- Constant Field Values
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EXPORT_DRIVER_LIST
public static final java.lang.String EXPORT_DRIVER_LIST
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- Constant Field Values
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center
public static final javajs.util.V3 center
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axisX
public static final javajs.util.V3 axisX
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axisY
public static final javajs.util.V3 axisY
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axisZ
public static final javajs.util.V3 axisZ
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axisNX
public static final javajs.util.V3 axisNX
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axisNY
public static final javajs.util.V3 axisNY
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axisNZ
public static final javajs.util.V3 axisNZ
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unitAxisVectors
public static final javajs.util.V3[] unitAxisVectors
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XY_ZTOP
public static final int XY_ZTOP
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- Constant Field Values
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DEFAULT_PERCENT_VDW_ATOM
public static final int DEFAULT_PERCENT_VDW_ATOM
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- Constant Field Values
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DEFAULT_BOND_RADIUS
public static final float DEFAULT_BOND_RADIUS
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- Constant Field Values
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DEFAULT_BOND_MILLIANGSTROM_RADIUS
public static final short DEFAULT_BOND_MILLIANGSTROM_RADIUS
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- Constant Field Values
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DEFAULT_STRUT_RADIUS
public static final float DEFAULT_STRUT_RADIUS
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- Constant Field Values
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DEFAULT_BOND_TOLERANCE
public static final float DEFAULT_BOND_TOLERANCE
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- Constant Field Values
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DEFAULT_MIN_BOND_DISTANCE
public static final float DEFAULT_MIN_BOND_DISTANCE
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- Constant Field Values
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DEFAULT_MAX_CONNECT_DISTANCE
public static final float DEFAULT_MAX_CONNECT_DISTANCE
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- Constant Field Values
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DEFAULT_MIN_CONNECT_DISTANCE
public static final float DEFAULT_MIN_CONNECT_DISTANCE
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- Constant Field Values
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MINIMIZE_FIXED_RANGE
public static final float MINIMIZE_FIXED_RANGE
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- Constant Field Values
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ENC_CALC_MAX_DIST
public static final float ENC_CALC_MAX_DIST
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- Constant Field Values
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ENV_CALC_MAX_LEVEL
public static final int ENV_CALC_MAX_LEVEL
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- Constant Field Values
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MOUSE_NONE
public static final int MOUSE_NONE
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- Constant Field Values
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MULTIBOND_NEVER
public static final byte MULTIBOND_NEVER
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- Constant Field Values
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MULTIBOND_WIREFRAME
public static final byte MULTIBOND_WIREFRAME
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- Constant Field Values
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MULTIBOND_NOTSMALL
public static final byte MULTIBOND_NOTSMALL
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- Constant Field Values
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MULTIBOND_ALWAYS
public static final byte MULTIBOND_ALWAYS
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- Constant Field Values
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MAXIMUM_AUTO_BOND_COUNT
public static final int MAXIMUM_AUTO_BOND_COUNT
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- Constant Field Values
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madMultipleBondSmallMaximum
public static final short madMultipleBondSmallMaximum
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- Constant Field Values
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ANGSTROMS_PER_BOHR
public static final float ANGSTROMS_PER_BOHR
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- Constant Field Values
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altArgbsCpk
public static final int[] altArgbsCpk
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argbsFormalCharge
public static final int[] argbsFormalCharge
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argbsRwbScale
public static final int[] argbsRwbScale
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FORMAL_CHARGE_COLIX_RED
public static final int FORMAL_CHARGE_COLIX_RED
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PARTIAL_CHARGE_COLIX_RED
public static final int PARTIAL_CHARGE_COLIX_RED
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PARTIAL_CHARGE_RANGE_SIZE
public static final int PARTIAL_CHARGE_RANGE_SIZE
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argbsRoygbScale
public static final int[] argbsRoygbScale
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argbsIsosurfacePositive
public static final int argbsIsosurfacePositive
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- Constant Field Values
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argbsIsosurfaceNegative
public static final int argbsIsosurfaceNegative
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- Constant Field Values
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ATOMID_AMINO_NITROGEN
public static final byte ATOMID_AMINO_NITROGEN
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- Constant Field Values
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ATOMID_ALPHA_CARBON
public static final byte ATOMID_ALPHA_CARBON
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- Constant Field Values
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ATOMID_CARBONYL_CARBON
public static final byte ATOMID_CARBONYL_CARBON
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- Constant Field Values
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ATOMID_CARBONYL_OXYGEN
public static final byte ATOMID_CARBONYL_OXYGEN
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- Constant Field Values
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ATOMID_O1
public static final byte ATOMID_O1
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- Constant Field Values
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ATOMID_ALPHA_ONLY_MASK
public static final int ATOMID_ALPHA_ONLY_MASK
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- Constant Field Values
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ATOMID_PROTEIN_MASK
public static final int ATOMID_PROTEIN_MASK
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- Constant Field Values
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ATOMID_O5_PRIME
public static final byte ATOMID_O5_PRIME
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- Constant Field Values
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ATOMID_C5_PRIME
public static final byte ATOMID_C5_PRIME
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- Constant Field Values
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ATOMID_C4_PRIME
public static final byte ATOMID_C4_PRIME
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- Constant Field Values
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ATOMID_C3_PRIME
public static final byte ATOMID_C3_PRIME
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- Constant Field Values
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ATOMID_O3_PRIME
public static final byte ATOMID_O3_PRIME
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- Constant Field Values
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ATOMID_C2_PRIME
public static final byte ATOMID_C2_PRIME
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- Constant Field Values
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ATOMID_C1_PRIME
public static final byte ATOMID_C1_PRIME
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- Constant Field Values
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ATOMID_O4_PRIME
public static final byte ATOMID_O4_PRIME
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- Constant Field Values
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ATOMID_NUCLEIC_MASK
public static final int ATOMID_NUCLEIC_MASK
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- Constant Field Values
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ATOMID_NUCLEIC_PHOSPHORUS
public static final byte ATOMID_NUCLEIC_PHOSPHORUS
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- Constant Field Values
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ATOMID_PHOSPHORUS_ONLY_MASK
public static final int ATOMID_PHOSPHORUS_ONLY_MASK
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- Constant Field Values
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ATOMID_DISTINGUISHING_ATOM_MAX
public static final int ATOMID_DISTINGUISHING_ATOM_MAX
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- Constant Field Values
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ATOMID_CARBONYL_OD1
public static final byte ATOMID_CARBONYL_OD1
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- Constant Field Values
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ATOMID_CARBONYL_OD2
public static final byte ATOMID_CARBONYL_OD2
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- Constant Field Values
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ATOMID_CARBONYL_OE1
public static final byte ATOMID_CARBONYL_OE1
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- Constant Field Values
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ATOMID_CARBONYL_OE2
public static final byte ATOMID_CARBONYL_OE2
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- Constant Field Values
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ATOMID_N1
public static final byte ATOMID_N1
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- Constant Field Values
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ATOMID_C2
public static final byte ATOMID_C2
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- Constant Field Values
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ATOMID_N3
public static final byte ATOMID_N3
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- Constant Field Values
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ATOMID_C4
public static final byte ATOMID_C4
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- Constant Field Values
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ATOMID_C5
public static final byte ATOMID_C5
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- Constant Field Values
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ATOMID_C6
public static final byte ATOMID_C6
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- Constant Field Values
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ATOMID_O2
public static final byte ATOMID_O2
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- Constant Field Values
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ATOMID_N7
public static final byte ATOMID_N7
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- Constant Field Values
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ATOMID_C8
public static final byte ATOMID_C8
- See Also:
- Constant Field Values
-
ATOMID_N9
public static final byte ATOMID_N9
- See Also:
- Constant Field Values
-
ATOMID_N4
public static final byte ATOMID_N4
- See Also:
- Constant Field Values
-
ATOMID_N2
public static final byte ATOMID_N2
- See Also:
- Constant Field Values
-
ATOMID_N6
public static final byte ATOMID_N6
- See Also:
- Constant Field Values
-
ATOMID_C5M
public static final byte ATOMID_C5M
- See Also:
- Constant Field Values
-
ATOMID_O6
public static final byte ATOMID_O6
- See Also:
- Constant Field Values
-
ATOMID_O4
public static final byte ATOMID_O4
- See Also:
- Constant Field Values
-
ATOMID_S4
public static final byte ATOMID_S4
- See Also:
- Constant Field Values
-
ATOMID_C7
public static final byte ATOMID_C7
- See Also:
- Constant Field Values
-
ATOMID_TERMINATING_OXT
public static final byte ATOMID_TERMINATING_OXT
- See Also:
- Constant Field Values
-
ATOMID_H5T_TERMINUS
public static final byte ATOMID_H5T_TERMINUS
- See Also:
- Constant Field Values
-
ATOMID_O5T_TERMINUS
public static final byte ATOMID_O5T_TERMINUS
- See Also:
- Constant Field Values
-
ATOMID_O1P
public static final byte ATOMID_O1P
- See Also:
- Constant Field Values
-
ATOMID_OP1
public static final byte ATOMID_OP1
- See Also:
- Constant Field Values
-
ATOMID_O2P
public static final byte ATOMID_O2P
- See Also:
- Constant Field Values
-
ATOMID_OP2
public static final byte ATOMID_OP2
- See Also:
- Constant Field Values
-
ATOMID_O2_PRIME
public static final byte ATOMID_O2_PRIME
- See Also:
- Constant Field Values
-
ATOMID_H3T_TERMINUS
public static final byte ATOMID_H3T_TERMINUS
- See Also:
- Constant Field Values
-
ATOMID_HO3_PRIME
public static final byte ATOMID_HO3_PRIME
- See Also:
- Constant Field Values
-
ATOMID_HO5_PRIME
public static final byte ATOMID_HO5_PRIME
- See Also:
- Constant Field Values
-
PURINE_MASK
public static final int PURINE_MASK
- See Also:
- Constant Field Values
-
PYRIMIDINE_MASK
public static final int PYRIMIDINE_MASK
- See Also:
- Constant Field Values
-
DNA_MASK
public static final int DNA_MASK
- See Also:
- Constant Field Values
-
RNA_MASK
public static final int RNA_MASK
- See Also:
- Constant Field Values
-
GROUPID_ARGININE
public static final int GROUPID_ARGININE
- See Also:
- Constant Field Values
-
GROUPID_ASPARAGINE
public static final int GROUPID_ASPARAGINE
- See Also:
- Constant Field Values
-
GROUPID_ASPARTATE
public static final int GROUPID_ASPARTATE
- See Also:
- Constant Field Values
-
GROUPID_CYSTEINE
public static final int GROUPID_CYSTEINE
- See Also:
- Constant Field Values
-
GROUPID_GLUTAMINE
public static final int GROUPID_GLUTAMINE
- See Also:
- Constant Field Values
-
GROUPID_GLUTAMATE
public static final int GROUPID_GLUTAMATE
- See Also:
- Constant Field Values
-
GROUPID_HISTIDINE
public static final int GROUPID_HISTIDINE
- See Also:
- Constant Field Values
-
GROUPID_LYSINE
public static final int GROUPID_LYSINE
- See Also:
- Constant Field Values
-
GROUPID_PROLINE
public static final int GROUPID_PROLINE
- See Also:
- Constant Field Values
-
GROUPID_TRYPTOPHAN
public static final int GROUPID_TRYPTOPHAN
- See Also:
- Constant Field Values
-
GROUPID_AMINO_MAX
public static final int GROUPID_AMINO_MAX
- See Also:
- Constant Field Values
-
GROUPID_NUCLEIC_MAX
public static final int GROUPID_NUCLEIC_MAX
- See Also:
- Constant Field Values
-
GROUPID_WATER
public static final int GROUPID_WATER
- See Also:
- Constant Field Values
-
GROUPID_SOLVENT_MIN
public static final int GROUPID_SOLVENT_MIN
- See Also:
- Constant Field Values
-
GROUPID_ION_MIN
private static final int GROUPID_ION_MIN
- See Also:
- Constant Field Values
-
GROUPID_ION_MAX
private static final int GROUPID_ION_MAX
- See Also:
- Constant Field Values
-
predefinedVariable
public static java.lang.String[] predefinedVariable
-
predefinedStatic
public static java.lang.String[] predefinedStatic
-
MODELKIT_ZAP_STRING
public static final java.lang.String MODELKIT_ZAP_STRING
- See Also:
- Constant Field Values
-
MODELKIT_ZAP_TITLE
public static final java.lang.String MODELKIT_ZAP_TITLE
- See Also:
- Constant Field Values
-
ZAP_TITLE
public static final java.lang.String ZAP_TITLE
- See Also:
- Constant Field Values
-
ADD_HYDROGEN_TITLE
public static final java.lang.String ADD_HYDROGEN_TITLE
- See Also:
- Constant Field Values
-
DEFAULT_FONTFACE
public static final java.lang.String DEFAULT_FONTFACE
- See Also:
- Constant Field Values
-
DEFAULT_FONTSTYLE
public static final java.lang.String DEFAULT_FONTSTYLE
- See Also:
- Constant Field Values
-
MEASURE_DEFAULT_FONTSIZE
public static final int MEASURE_DEFAULT_FONTSIZE
- See Also:
- Constant Field Values
-
AXES_DEFAULT_FONTSIZE
public static final int AXES_DEFAULT_FONTSIZE
- See Also:
- Constant Field Values
-
SHAPE_BALLS
public static final int SHAPE_BALLS
- See Also:
- Constant Field Values
-
SHAPE_STICKS
public static final int SHAPE_STICKS
- See Also:
- Constant Field Values
-
SHAPE_HSTICKS
public static final int SHAPE_HSTICKS
- See Also:
- Constant Field Values
-
SHAPE_SSSTICKS
public static final int SHAPE_SSSTICKS
- See Also:
- Constant Field Values
-
SHAPE_STRUTS
public static final int SHAPE_STRUTS
- See Also:
- Constant Field Values
-
SHAPE_LABELS
public static final int SHAPE_LABELS
- See Also:
- Constant Field Values
-
SHAPE_MEASURES
public static final int SHAPE_MEASURES
- See Also:
- Constant Field Values
-
SHAPE_STARS
public static final int SHAPE_STARS
- See Also:
- Constant Field Values
-
SHAPE_MIN_HAS_SETVIS
public static final int SHAPE_MIN_HAS_SETVIS
- See Also:
- Constant Field Values
-
SHAPE_HALOS
public static final int SHAPE_HALOS
- See Also:
- Constant Field Values
-
SHAPE_MIN_SECONDARY
public static final int SHAPE_MIN_SECONDARY
- See Also:
- Constant Field Values
-
SHAPE_BACKBONE
public static final int SHAPE_BACKBONE
- See Also:
- Constant Field Values
-
SHAPE_TRACE
public static final int SHAPE_TRACE
- See Also:
- Constant Field Values
-
SHAPE_CARTOON
public static final int SHAPE_CARTOON
- See Also:
- Constant Field Values
-
SHAPE_STRANDS
public static final int SHAPE_STRANDS
- See Also:
- Constant Field Values
-
SHAPE_MESHRIBBON
public static final int SHAPE_MESHRIBBON
- See Also:
- Constant Field Values
-
SHAPE_RIBBONS
public static final int SHAPE_RIBBONS
- See Also:
- Constant Field Values
-
SHAPE_ROCKETS
public static final int SHAPE_ROCKETS
- See Also:
- Constant Field Values
-
SHAPE_MAX_SECONDARY
public static final int SHAPE_MAX_SECONDARY
- See Also:
- Constant Field Values
-
SHAPE_MIN_SPECIAL
public static final int SHAPE_MIN_SPECIAL
- See Also:
- Constant Field Values
-
SHAPE_DOTS
public static final int SHAPE_DOTS
- See Also:
- Constant Field Values
-
SHAPE_DIPOLES
public static final int SHAPE_DIPOLES
- See Also:
- Constant Field Values
-
SHAPE_VECTORS
public static final int SHAPE_VECTORS
- See Also:
- Constant Field Values
-
SHAPE_GEOSURFACE
public static final int SHAPE_GEOSURFACE
- See Also:
- Constant Field Values
-
SHAPE_ELLIPSOIDS
public static final int SHAPE_ELLIPSOIDS
- See Also:
- Constant Field Values
-
SHAPE_MAX_SIZE_ZERO_ON_RESTRICT
public static final int SHAPE_MAX_SIZE_ZERO_ON_RESTRICT
- See Also:
- Constant Field Values
-
SHAPE_MIN_HAS_ID
public static final int SHAPE_MIN_HAS_ID
- See Also:
- Constant Field Values
-
SHAPE_POLYHEDRA
public static final int SHAPE_POLYHEDRA
- See Also:
- Constant Field Values
-
SHAPE_DRAW
public static final int SHAPE_DRAW
- See Also:
- Constant Field Values
-
SHAPE_MAX_SPECIAL
public static final int SHAPE_MAX_SPECIAL
- See Also:
- Constant Field Values
-
SHAPE_CGO
public static final int SHAPE_CGO
- See Also:
- Constant Field Values
-
SHAPE_MIN_SURFACE
public static final int SHAPE_MIN_SURFACE
- See Also:
- Constant Field Values
-
SHAPE_ISOSURFACE
public static final int SHAPE_ISOSURFACE
- See Also:
- Constant Field Values
-
SHAPE_CONTACT
public static final int SHAPE_CONTACT
- See Also:
- Constant Field Values
-
SHAPE_LCAOCARTOON
public static final int SHAPE_LCAOCARTOON
- See Also:
- Constant Field Values
-
SHAPE_LAST_ATOM_VIS_FLAG
private static final int SHAPE_LAST_ATOM_VIS_FLAG
- See Also:
- Constant Field Values
-
SHAPE_MO
public static final int SHAPE_MO
- See Also:
- Constant Field Values
-
SHAPE_NBO
public static final int SHAPE_NBO
- See Also:
- Constant Field Values
-
SHAPE_PMESH
public static final int SHAPE_PMESH
- See Also:
- Constant Field Values
-
SHAPE_PLOT3D
public static final int SHAPE_PLOT3D
- See Also:
- Constant Field Values
-
SHAPE_MAX_SURFACE
public static final int SHAPE_MAX_SURFACE
- See Also:
- Constant Field Values
-
SHAPE_MAX_MESH_COLLECTION
public static final int SHAPE_MAX_MESH_COLLECTION
- See Also:
- Constant Field Values
-
SHAPE_ECHO
public static final int SHAPE_ECHO
- See Also:
- Constant Field Values
-
SHAPE_MAX_HAS_ID
public static final int SHAPE_MAX_HAS_ID
- See Also:
- Constant Field Values
-
SHAPE_BBCAGE
public static final int SHAPE_BBCAGE
- See Also:
- Constant Field Values
-
SHAPE_MAX_HAS_SETVIS
public static final int SHAPE_MAX_HAS_SETVIS
- See Also:
- Constant Field Values
-
SHAPE_UCCAGE
public static final int SHAPE_UCCAGE
- See Also:
- Constant Field Values
-
SHAPE_AXES
public static final int SHAPE_AXES
- See Also:
- Constant Field Values
-
SHAPE_HOVER
public static final int SHAPE_HOVER
- See Also:
- Constant Field Values
-
SHAPE_FRANK
public static final int SHAPE_FRANK
- See Also:
- Constant Field Values
-
SHAPE_MAX
public static final int SHAPE_MAX
- See Also:
- Constant Field Values
-
VIS_BOND_FLAG
public static final int VIS_BOND_FLAG
- See Also:
- Constant Field Values
-
VIS_BALLS_FLAG
public static final int VIS_BALLS_FLAG
- See Also:
- Constant Field Values
-
VIS_LABEL_FLAG
public static final int VIS_LABEL_FLAG
- See Also:
- Constant Field Values
-
VIS_BACKBONE_FLAG
public static final int VIS_BACKBONE_FLAG
- See Also:
- Constant Field Values
-
VIS_CARTOON_FLAG
public static final int VIS_CARTOON_FLAG
- See Also:
- Constant Field Values
-
ALPHA_CARBON_VISIBILITY_FLAG
public static final int ALPHA_CARBON_VISIBILITY_FLAG
- See Also:
- Constant Field Values
-
shapeClassBases
public static final java.lang.String[] shapeClassBases
-
SCRIPT_COMPLETED
public static final java.lang.String SCRIPT_COMPLETED
- See Also:
- Constant Field Values
-
JPEG_EXTENSIONS
public static final java.lang.String JPEG_EXTENSIONS
- See Also:
- Constant Field Values
-
IMAGE_TYPES
public static final java.lang.String IMAGE_TYPES
- See Also:
- Constant Field Values
-
IMAGE_OR_SCENE
public static final java.lang.String IMAGE_OR_SCENE
- See Also:
- Constant Field Values
-
LABEL_MINIMUM_FONTSIZE
public static final int LABEL_MINIMUM_FONTSIZE
- See Also:
- Constant Field Values
-
LABEL_MAXIMUM_FONTSIZE
public static final int LABEL_MAXIMUM_FONTSIZE
- See Also:
- Constant Field Values
-
LABEL_DEFAULT_FONTSIZE
public static final int LABEL_DEFAULT_FONTSIZE
- See Also:
- Constant Field Values
-
LABEL_DEFAULT_X_OFFSET
public static final int LABEL_DEFAULT_X_OFFSET
- See Also:
- Constant Field Values
-
LABEL_DEFAULT_Y_OFFSET
public static final int LABEL_DEFAULT_Y_OFFSET
- See Also:
- Constant Field Values
-
LABEL_OFFSET_MAX
public static final int LABEL_OFFSET_MAX
- See Also:
- Constant Field Values
-
LABEL_OFFSET_MASK
private static final int LABEL_OFFSET_MASK
- See Also:
- Constant Field Values
-
LABEL_FLAGY_OFFSET_SHIFT
private static final int LABEL_FLAGY_OFFSET_SHIFT
- See Also:
- Constant Field Values
-
LABEL_FLAGX_OFFSET_SHIFT
private static final int LABEL_FLAGX_OFFSET_SHIFT
- See Also:
- Constant Field Values
-
LABEL_FLAGS
public static final int LABEL_FLAGS
- See Also:
- Constant Field Values
-
LABEL_POINTER_FLAGS
private static final int LABEL_POINTER_FLAGS
- See Also:
- Constant Field Values
-
LABEL_POINTER_NONE
public static final int LABEL_POINTER_NONE
- See Also:
- Constant Field Values
-
LABEL_POINTER_ON
public static final int LABEL_POINTER_ON
- See Also:
- Constant Field Values
-
LABEL_POINTER_BACKGROUND
public static final int LABEL_POINTER_BACKGROUND
- See Also:
- Constant Field Values
-
TEXT_ALIGN_SHIFT
private static final int TEXT_ALIGN_SHIFT
- See Also:
- Constant Field Values
-
TEXT_ALIGN_FLAGS
private static final int TEXT_ALIGN_FLAGS
- See Also:
- Constant Field Values
-
TEXT_ALIGN_NONE
public static final int TEXT_ALIGN_NONE
- See Also:
- Constant Field Values
-
TEXT_ALIGN_LEFT
public static final int TEXT_ALIGN_LEFT
- See Also:
- Constant Field Values
-
TEXT_ALIGN_CENTER
public static final int TEXT_ALIGN_CENTER
- See Also:
- Constant Field Values
-
TEXT_ALIGN_RIGHT
public static final int TEXT_ALIGN_RIGHT
- See Also:
- Constant Field Values
-
LABEL_ZPOS_FLAGS
private static final int LABEL_ZPOS_FLAGS
- See Also:
- Constant Field Values
-
LABEL_ZPOS_GROUP
public static final int LABEL_ZPOS_GROUP
- See Also:
- Constant Field Values
-
LABEL_ZPOS_FRONT
public static final int LABEL_ZPOS_FRONT
- See Also:
- Constant Field Values
-
LABEL_EXPLICIT
private static final int LABEL_EXPLICIT
- See Also:
- Constant Field Values
-
LABEL_CENTERED
private static final int LABEL_CENTERED
- See Also:
- Constant Field Values
-
LABEL_DEFAULT_OFFSET
public static int LABEL_DEFAULT_OFFSET
-
ECHO_TOP
public static final int ECHO_TOP
- See Also:
- Constant Field Values
-
ECHO_BOTTOM
public static final int ECHO_BOTTOM
- See Also:
- Constant Field Values
-
ECHO_MIDDLE
public static final int ECHO_MIDDLE
- See Also:
- Constant Field Values
-
ECHO_XY
public static final int ECHO_XY
- See Also:
- Constant Field Values
-
ECHO_XYZ
public static final int ECHO_XYZ
- See Also:
- Constant Field Values
-
echoNames
private static final java.lang.String[] echoNames
-
hAlignNames
private static final java.lang.String[] hAlignNames
-
SMILES_TYPE_SMILES
public static final int SMILES_TYPE_SMILES
- See Also:
- Constant Field Values
-
SMILES_TYPE_SMARTS
public static final int SMILES_TYPE_SMARTS
- See Also:
- Constant Field Values
-
SMILES_TYPE_OPENSMILES
public static final int SMILES_TYPE_OPENSMILES
- See Also:
- Constant Field Values
-
SMILES_TYPE_OPENSMARTS
public static final int SMILES_TYPE_OPENSMARTS
- See Also:
- Constant Field Values
-
SMILES_FIRST_MATCH_ONLY
public static final int SMILES_FIRST_MATCH_ONLY
- See Also:
- Constant Field Values
-
SMILES_NO_AROMATIC
public static final int SMILES_NO_AROMATIC
- See Also:
- Constant Field Values
-
SMILES_IGNORE_STEREOCHEMISTRY
public static final int SMILES_IGNORE_STEREOCHEMISTRY
- See Also:
- Constant Field Values
-
SMILES_INVERT_STEREOCHEMISTRY
public static final int SMILES_INVERT_STEREOCHEMISTRY
- See Also:
- Constant Field Values
-
SMILES_MAP_UNIQUE
public static final int SMILES_MAP_UNIQUE
- See Also:
- Constant Field Values
-
SMILES_AROMATIC_DEFINED
public static final int SMILES_AROMATIC_DEFINED
AROMATIC_DEFINED draws all aromatic bonds from connection definitions It is deprecated, because a=a will set it by itself.- See Also:
- Constant Field Values
-
SMILES_AROMATIC_STRICT
public static final int SMILES_AROMATIC_STRICT
AROMATIC_STRICT enforces Hueckel 4+2 rule, not allowing acyclic double bonds- See Also:
- Constant Field Values
-
SMILES_AROMATIC_DOUBLE
public static final int SMILES_AROMATIC_DOUBLE
AROMATIC_DOUBLE allows a distinction between single and double, as for example is necessary to distinguish between n=cNH2 and ncNH2 (necessary for MMFF94 atom typing)- See Also:
- Constant Field Values
-
SMILES_AROMATIC_MMFF94
public static final int SMILES_AROMATIC_MMFF94
AROMATIC_MMFF94 also raises the strictness level to force all 6- and 7-membered rings to have exactly three double bonds.- See Also:
- Constant Field Values
-
SMILES_AROMATIC_PLANAR
public static final int SMILES_AROMATIC_PLANAR
AROMATIC_PLANAR only invokes planarity (Jmol default through 14.5)- See Also:
- Constant Field Values
-
SMILES_IGNORE_ATOM_CLASS
public static final int SMILES_IGNORE_ATOM_CLASS
- See Also:
- Constant Field Values
-
SMILES_GEN_EXPLICIT_H_ALL
public static final int SMILES_GEN_EXPLICIT_H_ALL
- See Also:
- Constant Field Values
-
SMILES_GEN_EXPLICIT_H2_ONLY
public static final int SMILES_GEN_EXPLICIT_H2_ONLY
- See Also:
- Constant Field Values
-
SMILES_GEN_TOPOLOGY
public static final int SMILES_GEN_TOPOLOGY
- See Also:
- Constant Field Values
-
SMILES_GEN_POLYHEDRAL
public static final int SMILES_GEN_POLYHEDRAL
- See Also:
- Constant Field Values
-
SMILES_GEN_ATOM_COMMENT
public static final int SMILES_GEN_ATOM_COMMENT
- See Also:
- Constant Field Values
-
SMILES_GEN_BIO
public static final int SMILES_GEN_BIO
- See Also:
- Constant Field Values
-
SMILES_GEN_BIO_ALLOW_UNMATCHED_RINGS
public static final int SMILES_GEN_BIO_ALLOW_UNMATCHED_RINGS
- See Also:
- Constant Field Values
-
SMILES_GEN_BIO_COV_CROSSLINK
public static final int SMILES_GEN_BIO_COV_CROSSLINK
- See Also:
- Constant Field Values
-
SMILES_GEN_BIO_HH_CROSSLINK
public static final int SMILES_GEN_BIO_HH_CROSSLINK
- See Also:
- Constant Field Values
-
SMILES_GEN_BIO_COMMENT
public static final int SMILES_GEN_BIO_COMMENT
- See Also:
- Constant Field Values
-
SMILES_GEN_BIO_NOCOMMENTS
public static final int SMILES_GEN_BIO_NOCOMMENTS
- See Also:
- Constant Field Values
-
SMILES_GROUP_BY_MODEL
public static final int SMILES_GROUP_BY_MODEL
- See Also:
- Constant Field Values
-
SMILES_2D
public static final int SMILES_2D
- See Also:
- Constant Field Values
-
JSV_NOT
public static final int JSV_NOT
- See Also:
- Constant Field Values
-
JSV_SEND_JDXMOL
public static final int JSV_SEND_JDXMOL
- See Also:
- Constant Field Values
-
JSV_SETPEAKS
public static final int JSV_SETPEAKS
- See Also:
- Constant Field Values
-
JSV_SELECT
public static final int JSV_SELECT
- See Also:
- Constant Field Values
-
JSV_STRUCTURE
public static final int JSV_STRUCTURE
- See Also:
- Constant Field Values
-
JSV_SEND_H1SIMULATE
public static final int JSV_SEND_H1SIMULATE
- See Also:
- Constant Field Values
-
JSV_SEND_C13SIMULATE
public static final int JSV_SEND_C13SIMULATE
- See Also:
- Constant Field Values
-
NBO_MODEL
public static final int NBO_MODEL
- See Also:
- Constant Field Values
-
NBO_RUN
public static final int NBO_RUN
- See Also:
- Constant Field Values
-
NBO_VIEW
public static final int NBO_VIEW
- See Also:
- Constant Field Values
-
NBO_SEARCH
public static final int NBO_SEARCH
- See Also:
- Constant Field Values
-
NBO_CONFIG
public static final int NBO_CONFIG
- See Also:
- Constant Field Values
-
JSV_CLOSE
public static final int JSV_CLOSE
- See Also:
- Constant Field Values
-
READER_NOT_FOUND
public static java.lang.String READER_NOT_FOUND
-
UNITID_MODEL
public static final int UNITID_MODEL
- See Also:
- Constant Field Values
-
UNITID_RESIDUE
public static final int UNITID_RESIDUE
- See Also:
- Constant Field Values
-
UNITID_ATOM
public static final int UNITID_ATOM
- See Also:
- Constant Field Values
-
UNITID_INSCODE
public static final int UNITID_INSCODE
- See Also:
- Constant Field Values
-
UNITID_TRIM
public static final int UNITID_TRIM
- See Also:
- Constant Field Values
-
DEFAULT_DRAG_DROP_SCRIPT
public static final java.lang.String DEFAULT_DRAG_DROP_SCRIPT
- See Also:
- Constant Field Values
-
-
Method Detail
-
getNBOTypeFromName
public static int getNBOTypeFromName(java.lang.String nboType)
-
getCIPChiralityName
public static java.lang.String getCIPChiralityName(int flags)
-
getCIPRuleName
public static java.lang.String getCIPRuleName(int i)
-
getCIPChiralityCode
public static int getCIPChiralityCode(char c)
-
resolveDataBase
static java.lang.String resolveDataBase(java.lang.String database, java.lang.String id, java.lang.String format)
-
fixProtocol
static java.lang.String fixProtocol(java.lang.String name)
Check for databases that have changed from http:// to https:// over time. We substitute https here in case this is from an old reference.- Parameters:
name-- Returns:
- https protocol if necessary
-
embedScript
public static java.lang.String embedScript(java.lang.String s)
-
getShapeVisibilityFlag
public static final int getShapeVisibilityFlag(int shapeID)
-
shapeTokenIndex
public static final int shapeTokenIndex(int tok)
-
getShapeClassName
public static final java.lang.String getShapeClassName(int shapeID, boolean isRenderer)
-
getEchoName
public static java.lang.String getEchoName(int type)
-
setZPosition
public static int setZPosition(int offset, int pos)
-
setPointer
public static int setPointer(int offset, int pointer)
-
getPointer
public static int getPointer(int offset)
-
getPointerName
public static java.lang.String getPointerName(int pointer)
-
isOffsetAbsolute
public static boolean isOffsetAbsolute(int offset)
-
getOffset
public static int getOffset(int xOffset, int yOffset, boolean isAbsolute)Construct an 32-bit integer packed with 10-byte x and y offsets (-500 to 500) along with flags to indicate if exact and, if not, a flag to indicate that the 0 in x or y indicates "centered". The non-exact default offset of [4,4] is represented as 0 so that new array elements do not have to be initialized.- Parameters:
xOffset-yOffset-isAbsolute-- Returns:
- packed offset x and y with positioning flags
-
getXOffset
public static int getXOffset(int offset)
X offset in pixels. negative of this is the actual screen offset- Parameters:
offset- 0 for an offset indicates "not set" and delivers the default offset- Returns:
- screen offset from left
-
getYOffset
public static int getYOffset(int offset)
Y offset in pixels; negative of this is the actual screen offset- Parameters:
offset- 0 for an offset indicates "not set" and delivers the default offset- Returns:
- screen offset from bottom
-
getAlignment
public static int getAlignment(int offset)
-
setHorizAlignment
public static int setHorizAlignment(int offset, int hAlign)
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getHorizAlignmentName
public static java.lang.String getHorizAlignmentName(int align)
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isSmilesCanonical
public static boolean isSmilesCanonical(java.lang.String options)
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getServiceCommand
public static int getServiceCommand(java.lang.String script)
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getUnitIDFlags
public static int getUnitIDFlags(java.lang.String type)
Get a unitID type- Parameters:
type- -mra (model name, residue, atom, and ins code), -mr (model and residue; no atom) -ra default - or -r just residue -t right-trim- Returns:
- coded type
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