Re: [PyMOL] Trouble with mutagenesis script

2013-07-02 Thread Jason Vertrees
Hi Dan, You're missing a slash. You have: PyMOL.exe -qc mutate.py -- digly.pdb digly A/2 ASN where you should have PyMOL.exe -qc mutate.py -- digly.pdb digly A/2/ ASN When the residue is properly selected you'll see this: Selected! Mutagenesis: 4 rotamers loaded. ExecutiveRMS: RMS =0.0

[PyMOL] Trouble with mutagenesis script

2013-06-26 Thread Dan Piraner
Dear all, I'm trying to write a script to perform mutagenesis on a pdb coordinate file via the command line. When I run the script, it produces the expected output on the terminal and even creates the desired output PDB file, but the output file is exactly identical to the input file other than th