Re: [PyMOL] Pymol insertion code

2014-03-22 Thread Wimock
mol-users@lists.sourceforge.net > Subject: Re: [PyMOL] Pymol insertion code > Date: Thu, 20 Mar 2014 17:26:21 + > > Sorry - one quick correction to my previous email: > > On Mar 20, 2014, at 10:50 AM, Sampson, Jared wrote: > > > If you don’t need the cartoon representation t

Re: [PyMOL] Pymol insertion code

2014-03-20 Thread Sampson, Jared
Sorry - one quick correction to my previous email: On Mar 20, 2014, at 10:50 AM, Sampson, Jared wrote: > If you don’t need the cartoon representation to be continuous (e.g. if you’re > zooming in on a different section of the protein you can replace the 3rd line > with: > > alter prodomain, c

Re: [PyMOL] Pymol insertion code

2014-03-20 Thread Sampson, Jared
Hi Nick - This PDB employs non-standard usage of the PDB insertion code column. Typically, it is used to insert one or more residues between adjacent numbers in a canonically numbered structure, e.g. residue 42A (along with 42B, 42C, … , 42P, etc.) is between residues 42 and 43. As for whethe

[PyMOL] Pymol insertion code

2014-03-20 Thread Wimock
Hi, I'm new to Pymol and am looking at the structure of pepsinogen (PDB: 3psg). This protein contains a 44 residue prodomain, which the pdb file says is assigned an insertion code 'P' and labelled 1 - 44. This prodomain is cleaved to yield pepsin (5pep), whose sequence is labelled 1 - 326. I gat

Re: [PyMOL] insertion code

2011-02-15 Thread Tsjerk Wassenaar
Hi, Wouldn't you get about the same if you did: import string proper = set([ i.resi for i in cmd.get_model('all').atom if not i.resi[-1] in string.ascii_letters ]) I admit, there is a pattern with my previous posts :p And I know, the import statement can be added as __import__('string').ascii_le

Re: [PyMOL] insertion code

2011-02-15 Thread Jason Vertrees
Hi Nat, I don't think PyMOL natively handles something that slick. I would then start scripting: fetch 3edx, async=0 # start a Python block python # import stored from pymol import stored # create a set to hold residue identifiers stored.resiList = set() # this set will contain those resi

Re: [PyMOL] insertion code

2011-02-15 Thread Nat Echols
On Tue, Feb 15, 2011 at 2:07 PM, Jason Vertrees < jason.vertr...@schrodinger.com> wrote: > Interesting question. PyMOL's wildcards can help here: > > select allButInsertionsA, not (i. *A) > > This will look for all residue NUMBERS that end in "A" and select > everything but that. > Thanks, that

Re: [PyMOL] insertion code

2011-02-15 Thread Jason Vertrees
Hi Nat, Interesting question. PyMOL's wildcards can help here: select allButInsertionsA, not (i. *A) This will look for all residue NUMBERS that end in "A" and select everything but that. Cheers, -- Jason On Tue, Feb 15, 2011 at 4:10 PM, Nat Echols wrote: > Is there a way to select specific

[PyMOL] insertion code

2011-02-15 Thread Nat Echols
Is there a way to select specific insertion codes - or rather, their absence? I'm automatically building up selections like "chain A and ((resi 1:5) or (resi 10) or (resi 13))", and I want to ignore insertions, which tend to duplicate residue numbers. "help selection" didn't turn up anything, and