From: James S. <jms...@gm...> - 2013-04-02 17:28:41
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Pete, thanks for suggestion. I've tried to use loadDir with the pdb's subset where each file had name like 001.pdb 002.pdb ... 055.pdb but when the sotring have been still wrong :( also is loadDir script I found block for c in glob( g ): cmd.load(c) if ( group != None ): cmd.group( group, basename(c).split(".")[0], "add" ) what should I change here to sort files correctly? James 2013/4/2 Pete Meyer <pa...@mc...> > Hi James, > > Assuming your going from the pymol wiki loadDir script; you'd need to > change glob(c) loop (sort the list in your preferred order before the loop, > rather than using the result list unmodified). > > If I'm understanding your problem correctly (numbered pdb files being > loaded as 1.pdb, 100.pdb, 2.pdb ... instead of 1.pdb, 2.pdb, ... 100.pdb) > it might be easier rename your pdb files so that the default string sorting > from glob matches the numerical order you want. Using the same example, > the filenames would change to 001.pdb, 002.pdb, ... 100.pdb. > > Pete > > James Starlight wrote: > >> Dear PyMol users! >> >> >> I've forced with the problem of the loading of the my structural ensemble >> (pdb files of the protein listed as 1.pdb 2.pdb 3.pdb ..;. 100.pdb) into >> pymol via loadDir.pml script. In particular after loading of my ensemble >> in >> the right contex pymol's window I want to preserve structural order >> according to the pdb's names ( so that structures were listed in order >> from >> 1 to the 100.pdbs but not in the random (mixed) order). What additions to >> the loadDir script should I do to make such ordering ? >> >> >> >> James >> >> >> >> ------------------------------**------------------------------** >> ------------ >> >> ------------------------------**------------------------------** >> ------------------ >> Own the Future-Intel(R) Level Up Game Demo Contest 2013 >> Rise to greatness in Intel's independent game demo contest. Compete for >> recognition, cash, and the chance to get your game on Steam. $5K grand >> prize plus 10 genre and skill prizes. Submit your demo by 6/6/13. >> http://altfarm.mediaplex.com/**ad/ck/12124-176961-30367-2<http://altfarm.mediaplex.com/ad/ck/12124-176961-30367-2> >> >> >> ------------------------------**------------------------------** >> ------------ >> >> ______________________________**_________________ >> PyMOL-users mailing list (PyMOL-users@lists.**sourceforge.net<PyM...@li...> >> ) >> Info Page: https://lists.sourceforge.net/**lists/listinfo/pymol-users<https://lists.sourceforge.net/lists/listinfo/pymol-users> >> Archives: http://www.mail-archive.com/**pym...@li...urceforge.** >> net <http://www.mail-archive.com/pym...@li...> >> > > |