Re: [PyMOL] Dont resequence atoms when saving

2012-05-02 Thread Jason Vertrees
Hi Martin, I don't think there's a fix for this. Please file a bug report on the open-source tracker. Cheers, -- Jason On Mon, Apr 30, 2012 at 10:09 AM, Martin Hediger wrote: > Dear Pymol users > We are trying to generate a number of mutated structures using the > mutagenesis wizard. However,

Re: [PyMOL] Dont resequence atoms when saving

2012-04-30 Thread Martin Hediger
Dear Pymol users We are trying to generate a number of mutated structures using the mutagenesis wizard. However, after mutating a position and saving to a new PDB file, the mutated residue ends up being "mixed" into the coordinate lines of the first residue. Some two coordinate lines are separa

Re: [PyMOL] Dont resequence atoms when saving

2011-03-20 Thread Martin Hediger
hey, just wanted to ask if you could find something on why the mutagenesis wizard is destroying the ordering of atoms? Is this perhaps fixed in the latest versions? Then a download would make sense. Thanks, Martin Am 13.12.10 16:52, schrieb Jason Vertrees: > Hi Martin, > > As you've found,

Re: [PyMOL] Dont resequence atoms when saving

2010-12-13 Thread Jason Vertrees
Hi Martin, As you've found, the mutagenesis wizard destroys the ordering in some cases. I'll look into it. Cheers, -- Jason On Tue, Dec 7, 2010 at 11:34 AM, Martin Hediger wrote: > Good day > I use PyMOL to introduce mutations into a structure. It occured to me that > when saving the modified

Re: [PyMOL] Dont resequence atoms when saving

2010-12-07 Thread Martin Hediger
Good day I use PyMOL to introduce mutations into a structure. It occured to me that when saving the modified structure, atom sequence was not preserved. Using set retain_order set pdb_retain_ids is supposed to control this. It seems now, as if mutating a structure does a really weired thing: O

Re: [PyMOL] Dont resequence atoms when saving

2010-11-09 Thread Jason Vertrees
Hi Martin, set retain_order set pdb_retain_ids Cheers, -- Jason On Tue, Nov 9, 2010 at 4:30 AM, Martin Hediger wrote: > Dear all > It occured to me that PyMOL is resequencing a structure when saving. I > am trying to interpolate between two structures where it is critical to > have identical s

[PyMOL] Dont resequence atoms when saving

2010-11-09 Thread Martin Hediger
Dear all It occured to me that PyMOL is resequencing a structure when saving. I am trying to interpolate between two structures where it is critical to have identical sequence in both structures. Is it possible submit a -option to the save command? Thanks for your help Martin -