Modeller and python3 are needed to run.
PARAMETERS:
-pdb: PDB file
-c: Chain to mutate
-f: Config file containing which positions to mutate (defualt 'config.txt')
-o: Output folder (defualt 'mutants')
-r: add flag to not use homology modeling and use restricted model instead
Example use:
python mutantBuilder.py -pdb 6waq.pdb -c A
CONFIG FILE:
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The config.txt is used to guide the mutagensis each line contains a residue postion and amino acid to mutate to.
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A '*' can be used to mutate to all resdiues.
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Multiple mutants can be done at the same time using a comma as a seperator. (on the same line)
EX 1: 2 seperate single mutants. 1 ALA 4 GLN EX 2: 1 double mutant. 1 ALA, 4 GLN EX 3: All mutants at postion 5 5 *