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PythoHammering.py
Purpose: Template and catalytic constraint generation for homology modeling.
How/What: Performs Hmmer searches against the PDB and the MCSA MCSA hits provide reisudes to be used to generate catalytic constraints for targets with RosettaEnzCM.py Filters out PDB and MCSA hits by UniProt ID to provide unique templates only
To use: Need one folder entitled 'Fastas' containing all target fastas If using outside of genomecenter cluster, will need new path's for PDB and MCSA databases
Python Modules: pandas, os, pypdb
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