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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
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