Re: [PyMOL] Missing residues in PDB

2012-01-31 Thread Thomas Holder
I put a script on the PyMOLWiki that does renumbering based connectivity: http://pymolwiki.org/index.php/Renumber Cheers, Thomas On 01/30/2012 02:52 PM, Thomas Holder wrote: On 01/30/2012 02:24 PM, gontchar andrey wrote: Thanks a lot! A very useful script, but not exactly that I need...

Re: [PyMOL] Missing residues in PDB

2012-01-31 Thread Андрей Гончар
Thanks! 2012/1/31 Thomas Holder spel...@users.sourceforge.net: I put a script on the PyMOLWiki that does renumbering based connectivity: http://pymolwiki.org/index.php/Renumber Cheers,  Thomas On 01/30/2012 02:52 PM, Thomas Holder wrote: On 01/30/2012 02:24 PM, gontchar andrey wrote:

Re: [PyMOL] list of polar contacts

2012-01-31 Thread Abhinav Verma
Hi thanks, still it is not the same.. But thanks.. I wish Jason can reply if there is any way to get the list from the apply command. thanks, Abhi On Mon, Jan 30, 2012 at 5:53 PM, Thomas Evangelidis teva...@gmail.comwrote: I think you can reproduce the results from apply-find-polar contacts

Re: [PyMOL] list of polar contacts

2012-01-31 Thread Jason Vertrees
Hi Abhinav, The underlying C-object for a measurement does not support iterate/alter. This is rather silly; PyMOL should be able to tell you what's in the object. Please file a feature request on the open-source bug tracker and we'll be sure to look at this ASAP. Cheers, -- Jason On Tue, Jan

Re: [PyMOL] drawing and formating bonds between atoms

2012-01-31 Thread Jason Vertrees
Gonzalo, Just pick a bond and issue the following setting command to make colored lines: set_bond line_color, yourColor, sele You can also use set_bond stick_color, yourColor, sele for sticks. sele should be the two bound atoms. Cheers, -- Jason On Tue, Jan 31, 2012 at 1:51 PM, Gonzalo

Re: [PyMOL] drawing and formating bonds between atoms

2012-01-31 Thread Gonzalo Parra
Sorry guys, it's me again. It worked while I was seeing the structure in lines style, but when I change the style to cartoon, the bonds that I set dissapear.. How can I prevent it? Thanks again, and sorry for beeing that noob. Gonzalo From: jason.vertr...@schrodinger.com Date: Tue, 31 Jan

Re: [PyMOL] drawing and formating bonds between atoms

2012-01-31 Thread Jason Vertrees
Gonzalo, The cartoon representation is a stylized representation of the structure using backbone atoms as guides. Setting stick_color or line_color on a cartoon won't help -- you need to show lines or sticks. If you need sticks/lines back just type: show lines, sele or show sticks, sele

[PyMOL] MacPyMOL Knowledge of Opened Structures

2012-01-31 Thread Sean Law
Hi PyMOLers, I noticed some strange behaviour when I do the following: 1) Load A.pdb into MacPyMOL via pymol A.pdb2) Load a CHARMM simulation trajectory into object A via load A.dcd, A 3) Load a completely different structure (must have different number of atoms than A.pdb), B.pdb, into a

Re: [PyMOL] list of polar contacts

2012-01-31 Thread Takanori Nakane
Hi Abhinav and Jason, The underlying C-object for a measurement does not support iterate/alter. This is rather silly; PyMOL should be able to tell you what's in the object. As an ad-hoc hack, I wrote a Python script to access internal C-object of distance representation and convert it to atom