3DmodelFit - program for the estimation of quality of 3D model structure of protein
Program accepts model and real (target) 3D structures of protein in PDB format (indexing of residues in files should be identical). Program calculates their optimal superposition and estimates following scores for model quality estimation:
If 'Output format' is set to "Extended" value, program outputs PDB file with structural superposition of model (chain M) and target (chain T) structures.
Remark fields in output file represent also residue to residue correspondence of model and target structutes, for example:
REMARK 50 Structure quality: REMARK 50 M: G D S V E N Q S REMARK 50 N: 15 16 17 18 19 20 21 22 REMARK 50 T: - - - - - - q S
where M: model amino acid, N: residue index, T: target amino acid. Missed residues are indicated as gaps ('-'); residues with missed side chains are indicated as small letters.
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