Re: [PyMOL] Automatic mutation introduction

2013-11-12 Thread James Starlight
Thanks! I'll try all pf this possibilities- especially I'm interesting in Modeller because its 1) python-based and 2) produce suitable input for MD (fixing side-chains or loops missed in the X-ray input data) James 2013/11/11 Ron Jacak > Hi James, > > SCWRL is a good suggestion. You may also

Re: [PyMOL] Automatic mutation introduction

2013-11-11 Thread White, Mark
, TX 409.747.4747 http://xray.utmb.edu From: James Starlight [jmsstarli...@gmail.com] Sent: Sunday, November 10, 2013 1:27 PM To: pymol-users Subject: [PyMOL] Automatic mutation introduction Dear PyMol users! I'm looking for the possible python script which using

[PyMOL] Automatic mutation introduction

2013-11-10 Thread James Starlight
Dear PyMol users! I'm looking for the possible python script which using the pymol source would introduce selected mutations in the defined PDB file and produce PDB output containing such protein with the selected substitution residues. It would be also good if rotamers for mutation residues woul