Re: [ccp4bb] dihedral backbone generator

2012-11-20 Thread Ed Pozharski
On Mon, 2012-11-12 at 13:47 -0500, Ed Pozharski wrote: > Does anyone know of a tool that would generate a protein molecule > backbone from a set of phi/psi angles? > For the record. Thanks to all who responded. Here is what I found out: 1. MOLEMAN works best. The most cumbersome part is to tra

Re: [ccp4bb] dihedral backbone generator

2012-11-13 Thread Gerard DVD Kleywegt
If you have an old copy of MOLEMAN (not MOLEMAN2!) lying around, this can be done very easily (ever since it was programmed on Valentine's Day 1993, in fact - I even remember who my Valentine was :-) - see: http://xray.bmc.uu.se/usf/moleman_man.html#S13 - READ your original model (PDB fi

Re: [ccp4bb] dihedral backbone generator

2012-11-12 Thread Edward A. Berry
Ed Pozharski wrote: Does anyone know of a tool that would generate a protein molecule backbone from a set of phi/psi angles? I actually had written my own code to do this eons ago, but those were days of Matlab. My actual question is if in a particular protein the conformational change observed

[ccp4bb] dihedral backbone generator

2012-11-12 Thread Ed Pozharski
Does anyone know of a tool that would generate a protein molecule backbone from a set of phi/psi angles? I actually had written my own code to do this eons ago, but those were days of Matlab. My actual question is if in a particular protein the conformational change observed upon substrate bindin