|
|
|
|
|
| extractRigidSegments(imol,
segmentList) |
|
|
|
|
| getRigidSegmentConnections(segmentList) |
|
|
|
|
| findConnectionAtoms(segMol,
conBond) |
|
|
|
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| findConnectionBond(seg1,
seg2) |
|
|
|
|
| getTorsionAtoms(mol,
conNum) |
|
|
|
|
| measureTorsion(seg1,
seg2) |
|
|
|
|
| canonicalLabelBonds(mol1,
mol2) |
|
|
|
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| canonicalLabelAtoms(mol,
segNum) |
|
|
|
|
| alignMol(mol,
atom1,
atom2) |
|
|
|
|
| connectRigidSegments(seg1,
seg2) |
|
|
|
|
| buildMolecule(segments,
connectionList) |
|
|
|
|
| retrieveSegmentFromDB(dbConn,
inputMol,
outputMol) |
|
|
|
|
| retrieveTorsionsFromDB(dbConn,
segments,
connectionList) |
|
|
|
|
|
|
|
| getMostProbTorsions(torData) |
|
|
|
|
|
|
|
| setTorsions(mol,
torList) |
|
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|