[PyMOL] creating PDB structure

2011-11-23 Thread James Starlight
Dear PyMol Users! I wounder to know about possible ways of creation of the peptide structures via PyMol Builder module. In particular I need create a linear structure of my protein ( with fixed phi and psi angles) for futher folding molecular dynamics simulation of that peptide. But in builder mod

Re: [PyMOL] creating PDB structure

2011-11-23 Thread Thomas Holder
Hi James, check this PyMOLWiki page: http://pymolwiki.org/index.php/Fab However, the "fab" command does not take user defined phi/psi angles, only 4 predefined conformations ("ss" argument). User defined phi/psi can be handled by these scripts: http://pymolwiki.org/index.php/CreateSecondaryStr

Re: [PyMOL] creating PDB structure

2011-11-23 Thread James Starlight
Thanks Thomas! Those scripts works fine. Could you tell me if there any way to install all of those scripts as the pymol plugins ( that I need not to load this scripts every time when I sttart pymol de novo )? James 2011/11/23 James Starlight > Thanks thomas > > Those scripts works fine. Coul

Re: [PyMOL] creating PDB structure

2011-11-23 Thread James Starlight
By the way, C could not find if all those scripts are able to make CAPS on the residues but if it's not possible Iwant to add some CAP group ( e.g ACE to the N term) via builder module. So I've chose ACE residue from that module and obtained message pick location to attach ace how now i could s

Re: [PyMOL] creating PDB structure

2011-11-23 Thread Folmer Fredslund
On 11/23/2011 01:18 PM, James Starlight wrote: > Thanks Thomas! > > Those scripts works fine. Could you tell me if there any way to install > all of those scripts as the pymol plugins ( that I need not to load this > scripts every time when I sttart pymol de novo )? > > > James > Hi James Jason V

Re: [PyMOL] creating PDB structure

2011-11-23 Thread Thomas Holder
Hi James, > C could not find if all those scripts are able to make CAPS on the residues > > but if it's not possible Iwant to add some CAP group ( e.g ACE to the N > term) via builder module. So I've chose ACE residue from that module and > obtained message > > pick location to attach ace > >

Re: [PyMOL] creating PDB structure

2011-11-23 Thread Martin Hediger
If you are in the PyMOL Viewer and in Edit mode, you can hit +<{a,g,d,e,...}> to build up a linear polypeptide, where the single letters correspond to the amino acide identifiers. Is this useful to you? Am 23.11.11 11:43, schrieb James Starlight: Dear PyMol Users! I wounder to know ab

Re: [PyMOL] PyMOL 1.5 release

2011-11-23 Thread Jason Vertrees
Hi Donnie, Business decisions are off-topic for the pymol-users list, but for openness and transparency I'll briefly respond. > I always wonder, are there actually people who feel they gain some sort > of competitive advantage by having access to PyMOL features first? > Doesn't seem to make sense

[PyMOL] Post doctoral position in chromatin structural biology at the University of Toronto

2011-11-23 Thread Jinrong Min
A Post-doctoral position in chromatin structural biology is available at the Structural Genomics Consortium, University of Toronto. The Chromatin Biology and Epigenetics Group at the Structural Genomics Consortium (SGC), University of Toronto, aims to characterize chromatin proteins by X-ray