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BALL
1.4.79
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BALL
1.4.79
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This is the complete list of members for BALL::StructurePreparer, including all inherited members.
| assignAtomTypes(AtomContainer *at, String iniFile, String AtomType_file="") | BALL::StructurePreparer | |
| assignCharges(AtomContainer *at, int overwrite_mode) | BALL::StructurePreparer | |
| assignMMFF94AtomTypes(AtomContainer *at) | BALL::StructurePreparer | |
| assignPLPAtomTypes(AtomContainer *at) | BALL::StructurePreparer | |
| assignProteinCharges(AtomContainer *at, String parameterFile, int overwrite_mode) | BALL::StructurePreparer | |
| assignSimpleAtomTypes(AtomContainer *at, String iniFile) | BALL::StructurePreparer | |
| buildBonds(AtomContainer *at) | BALL::StructurePreparer | |
| getSimpleAtomTypes() | BALL::StructurePreparer | |
| prepare(AtomContainer *at, String parameterFile, String AtomType_file="") | BALL::StructurePreparer | |
| saturate(AtomContainer *at) | BALL::StructurePreparer | |
| selectHeavyAtoms(AtomContainer *at) | BALL::StructurePreparer | |
| setScoringType(String type) | BALL::StructurePreparer | |
| setSimpleAtomTypes(std::set< String > &new_types) | BALL::StructurePreparer | |
| StructurePreparer(String type="", bool ignore=0) | BALL::StructurePreparer |
1.8.7