From: Jason V. <jas...@sc...> - 2010-09-22 13:46:25
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Hi Renuka, Check out the loadDir PyMOL script ( http://www.pymolwiki.org/index.php/LoadDir). You can do stuff like, # load all PDBs in the directory ../ loadDir ../, *.pdb # load all SDFs in ../../mySDFs loadDir ../../mySDFs/state*.sdf Cheers, -- Jason On Wed, Sep 22, 2010 at 9:12 AM, Renuka Robert <ren...@ym...>wrote: > Dear Pymol users > > > I have to do TWO jobs simultaneously in PYMOL. > > > JOB 1: Load multiple *sdf files > > > I have set of ligand files in *.sdf format as follows: > > > /home/user/Model_1/cluster_1.sdf > > /home/user/Model_1/cluster_2.sdf > > /home/user/Model_1/cluster_3.sdf > > > /home/user/Model_2/cluster_1.sdf > > /home/user/Model_2/cluster_2.sdf > > /home/user/Model_2/cluster_3.sdf > > > /home/user/Model_3/cluster_1.sdf > > /home/user/Model_3/cluster_2.sdf > > /home/user/Model_3/cluster_3.sdf > > > I've got an answer from one of the PYMOL user as: > > > PyMOL>import glob > > PyMOL>for i in glob.glob("cluster_*.sdf"): cmd.load(i) > > > But this command works only in the present working directory. For the > next try I have to change my directory every time. Like: > > > cd /home/user/Model_1/ > > PyMOL>import glob > > PyMOL>for i in glob.glob("cluster_*.sdf"): cmd.load(i) > > > cd /home/user/Model_2/ > > PyMOL>import glob > > PyMOL>for i in glob.glob("cluster_*.sdf"): cmd.load(i) > > > cd /home/user/Model_3/ > > PyMOL>import glob > > PyMOL>for i in glob.glob("cluster_*.sdf"): cmd.load(i) > > > Could you please tell me how to load these multiple *.sdf files in one > command without changing the directory? > > > JOB2: Delete multiple *.sdf files > > > I have to analyze cluster_*.sdf files of several 100 directories. > > > So when I load cluster_*.sdf files from directory Model_2, the already > loaded cluster:*.sdf files from Model_1 should be deleted. > > Like wise when I load cluster_*.sdf files from directory Model_3, the > already loaded cluster:*.sdf files from Model_2 should be deleted. > > > I am not good in programming. Could anybody help me in scripting to sort > out this problem? > > > Thanks in advance. > > Regards > > Renuka > > > > ------------------------------------------------------------------------------ > Start uncovering the many advantages of virtual appliances > and start using them to simplify application deployment and > accelerate your shift to cloud computing. > http://p.sf.net/sfu/novell-sfdev2dev > _______________________________________________ > PyMOL-users mailing list (PyM...@li...) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pym...@li... > -- Jason Vertrees, PhD PyMOL Product Manager Schrodinger, LLC (e) Jas...@sc... (o) +1 (603) 374-7120 |