Re: [PyMOL] pdbml

2015-10-23 Thread Arthur Zalevsky
Hi John, Yeah, i know about limitations of PDB format. I've missed the news you mentioned so it was a kind of surprise when i found ribosome pdbs superseded by merged pdbml. So basically j'm just a bit outdated and updating of once established pipelines is always a bit frustrating. Thanks agai

Re: [PyMOL] pdbml

2015-10-23 Thread John Berrisford
Dear Authur As the PDB format is not suitable for structures with over 99,999 atom lines or over 62 chains we only distribute these structures in both mmCIF and PDBML formats. See: http://www.wwpdb.org/news/news?year=2014#10-December-2014 We (PDBe) have been using mmCIF format in pymol for nu

Re: [PyMOL] pdbml

2015-10-22 Thread Arthur Zalevsky
Hi Thomas, thank you very much for help. Since PDB made pdbml default for large systems (i'm particularly interested in ribosomes) it was a kind of pain. And it seems i have to upgrade my PyMOL and read documentation more often: help for fetch in PyMOL from svn shows '{default: cif (default wa

Re: [PyMOL] pdbml

2015-10-22 Thread Thomas Holder
Hi Arthur, The script I sent you earlier had one Incentive PyMOL specific line and won't work in Open-Source PyMOL unless you delete that line. My apologies. However, if you are compiling the latest code from SVN you don't need the script, I already have incorporated it into the code base! Simp

Re: [PyMOL] pdbml

2015-10-22 Thread Arthur Zalevsky
Hi Thomas! I've tried your parser with pymol 1.4.1 from ubuntu 12.04 repos and freshly compiled 1.7.7.2 from svn with no luck at all. I've tried to load PDB ID 4V50 (full E.coli ribosome). Pymol simply hangs with 100% cpu usage. From 1.4.1 i've got following traceback (after i left it overnig

Re: [PyMOL] pdbml

2015-09-24 Thread Thomas Holder
Hi Arthur & Jerome, I wrote a basic PDBML importer for PyMOL, see attached script which adds a "load_pdbml" command. I meant to assess the complexity of such a project and ended up writing the entire thing. So far, this only reads atoms and symmetry information. If you find this useful we can i

Re: [PyMOL] pdbml

2015-09-23 Thread Arthur Zalevsky
Sorry for bumping old thread, but is support for pdbml still unimplemented? In such case i think it's a good project for our students. Regards, Arthur > From: Thomas Holder - 2013-12-02 19:23:18 > Hi Jerome, > > I think the simple reason is that nobody ever wrote a PDBML parser for > PyMOL.

Re: [PyMOL] pdbml

2013-12-02 Thread Thomas Holder
Hi Jerome, I think the simple reason is that nobody ever wrote a PDBML parser for PyMOL. Is that a good reason? Cheers, Thomas On 28 Nov 2013, at 13:21, Jerome BENOIT wrote: > Hello List, > > is there any good reason why PyMOL can not read PDBML data files ? > > Cheers, > Jerome -

[PyMOL] pdbml

2013-11-28 Thread Jerome BENOIT
Hello List, is there any good reason why PyMOL can not read PDBML data files ? Cheers, Jerome -- Rapidly troubleshoot problems before they affect your business. Most IT organizations don't have a clear picture of how