/structural_generic

Scripts to tackle .pdb files, unrelated analysis.

Primary LanguagePython

Structural Biochemistry

Repository for .PDB files analysis.

Consurf visualization:

  • replaces b-factor values with consurf values on a ".pdb" file.

Residues distance:

  • Calculate the distance between two amino acids by their alpha carbons, upon a ".pdb" file.

RMSD:

  • Calculate overall RMSD between a template and all the remaining ".pdb" files in the folder.

Clustal to ali:

  • Convert a Clustal Omega alignment to a ".ali" file (Modeller friendly input).

Proq:

  • Input a ".pdb" file to retrieve LGScore and MaxSub evaluation. Secondary structure submission is possible.

Haddock:

  • Input a ".pdb" dimer file to perform interface refinement. Confirm chromedriver version prior to usage.

Correct amino acid:

  • Input a ".pdb" file to correct an amino acid name on the whole file. Can also be used on all the files in the folder.

Center coordinates:

  • Input a ".pdb" file to attain an output with the coordinates geometrically centered.

Interface class:

  • input a ".pdb" file to attain a interfacial classification of a dimer chain.

Renumber pdb:

  • input a ".pdb" file to attain the renumbered (from 1) ".pdb file".

Query Uniprot and PDB

  • input a csv table and find UniProt and PDBids.
  • retrieve protein structure and sequence.

Rename chains:

  • input a ".pdb" file and the chain names to rename chains or input chains in absence.

3Dcons:

  • input a PDB code and fetch the calculated PSSM results.