- schrodinger.protein._reliability: This module is for assessing protein reliability and fitness for various
structure-based applications.
- schrodinger.protein.analysis: A class for diagnosing and reporting common structural problems of
protein complexes.
- schrodinger.protein.analysis_params
- schrodinger.protein.assignment: Module for optimizing hydroxyl, thiol and water orientiations,
Chi-flips of asparagine, glutamine and histidine, and protonation
states of aspartic acid, glutamic acid, and histidine.
- schrodinger.protein.captermini: Module for capping uncapped terminal residues in a protein
structure by adding NME or ACE caps as appropriate.
- schrodinger.protein.findhets: Module for finding 'het' groups in a protein structure.
- schrodinger.protein.getpdb: Module for downloading PDB files from the web.
- schrodinger.protein.getpdb_utility: Copy a PDB file out of the PDB directory, or, if not found, download it from the
rcsb repository: http://www.rcsb.org/pdb/files/.
- schrodinger.protein.helix: Module for converting residue sequences to 3D structures with an
a-helix secondary structure.
- schrodinger.protein.membrane: Module for displaying and manipulating a membrane.
- schrodinger.protein.reliability
- schrodinger.protein.remediate: Module for remediating names in PDB structures - converting PDBv2 residue and
atom names to PDBv3 convention.
- schrodinger.protein.rotamers: A rotamer library which can be applied to protein sidechains.
- schrodinger.protein.sequence: This module allows to iterate over all sequences in a given protein
CT, and to iterate over residues of each (in sequence order).
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