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PDB_SYMTRY inputs PDB file, parses SYMTRY records and returns a list of (4x4) matrices. |
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| CenterAndRadius | ||
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ReadMolecule based on the MolKit.Read fucntion. |
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WritePDB Save as PDB. |
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WriteMolecule Write any file format recognized by MolKit. |
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| AssignRadii | ||
| CalculateGasteigerCharges | ||
| AddKollmanCharges | ||
| AddHydrogens | ||
| AddPolarHydrogens | ||
| ParseCryst1 | ||
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NodeSelector This node selects subsets of nodes (i.e. |
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| RMSDFromTwoAtomSet | ||
| AtomsAsCPK | ||
| AtomsAsSticks | ||
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SESVertices Extract specific vertices from the SES surface Input ports: MSMS: an MSMSobject instance as output by the MSMS calculation node nodes: a TreeNodeSet describing parts of a molecule. |
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ReadMSMS based on the MSMSParser object. |
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SurfaceAtoms outputs a list of atoms contributing to the MSMS serface Input ports: MSMS: an MSMSobject instance as output by the MSMS calculation node nodes: a TreeNodeSet describing parts of a molecule. |
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AtomsAsMSMS Compute solvent excluded surface using the MSMS library. |
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SpheresAsMSMS Compute solvent excluded surface using the MSMS library. |
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SaveMSMS save the triangulated Solvent Excluded Surface in ascii format |
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GetMSMSareas Compute and output surface areas MSMS component. |
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GetMSMStriangles Extract triangles from a given MSMS component and for a given set of atoms. |
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GetBuriedMSMS Extract triangles from a given MSMS component that are burried by a set of atoms from another molecule. |
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| AtomsProperty | ||
| BondsGeometry | ||
| BondsByDist | ||
| PublicHttpServer | ||
| MsmsServer | ||
| RemoteMSMS | ||
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CrystalToCartesian Converts crystall cell coordinates into cartesian coordinates. |
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| LinesMacro | ||
| CPKMacro | ||
| MSMSMacro | ||
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| importMolKitLib(net) | ||
| importVizLib(net) | ||
| importSymServLib(net) | ||
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msmsFound = 1
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bhtreelibFound = True
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molkitlib = <Vision.VPE.NodeLibrary instance at 0xb7c0064c>
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msmsFoundNone
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bhtreelibFoundNone
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molkitlibNone
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| Generated by Epydoc 3.0alpha3 on Fri Nov 2 14:09:51 2007 | http://epydoc.sourceforge.net |