________________________________________
De : ABEL Stephane 175950
Envoyé : vendredi 10 juillet 2015 18:39
À : pymol-users@lists.sourceforge.net
Objet : Problem with loadBfact.py on windows (ABEL Stephane 175950
I have re installed the program and removed an old version of Pymol and now my
script works
Thanks
------------------------------
Message: 2
Date: Fri, 10 Jul 2015 12:44:40 +0000
From: ABEL Stephane 175950 <stephane.a...@cea.fr>
Subject: [PyMOL] Problem with loadBfact.py on windows
To: "pymol-users@lists.sourceforge.net"
<pymol-users@lists.sourceforge.net>
Message-ID:
<3e39b768bb199548ab18f7289e7534af1b471...@exdag0-b0.intra.cea.fr>
Content-Type: text/plain; charset="iso-8859-1"
Hi Pymol users
I use Pymol v1.3 on Windows and I would like to use the loadBfacts.py
(http://www.pymolwiki.org/index.php/Load_new_B-factors) (renamed, here,
loadB2Fact.py) to change the B factor value according to other values stored in
an external txt file. On my linux machine, I use the following script that
works well
### Script ##
bg black
hide all
select BENZ, resname BEN
hide BEN
select SOL, resname SOL
hide SOL
select DOP, resname DOP
hide DOP
select protein, resi 1-76
run loadB2Fact.py
loadBfacts protein, 1,
UBQ_TIP4P_Bulk_Water_residue_0.350_nm_Average_Statistics.dat
cartoon automatic, protein
set_view (\
-0.252517521, 0.895963371, 0.365354568,\
0.693045497, 0.430974960, -0.577881873,\
-0.675220251, 0.107282706, -0.729772329,\
-0.000030319, -0.000010751, -106.549461365,\
30.012023926, 31.324144363, 31.591945648,\
66.820175171, 146.280471802, -20.000000000 )
###End Script
But on windows, i obtained the following errors
PyMOL>run ./loadB2Fact.py
Traceback (most recent call last):
File "C:\Program Files (x86)\PyMOL_v13\PyMOL/modules\pymol\parser.py", line
338, in parse
parsing.run_file(path,self.pymol_names,self.pymol_names)
File "C:\Program Files (x86)\PyMOL_v13\PyMOL/modules\pymol\parsing.py", line
455, in run_file
execfile(file,global_ns,local_ns)
IOError: [Errno 2] No such file or directory: './loadB2Fact.py'
PyMOL>loadBfacts protein, 1,
UBQ_TIP4P_Bulk_Water_residue_0.350_nm_Average_Statistics.dat
Traceback (most recent call last):
File "C:\Program Files (x86)\PyMOL_v13\PyMOL/modules\pymol\parser.py", line
464, in parse
exec(layer.com2+"\n",self.pymol_names,self.pymol_names)
File "<string>", line 1
loadBfacts protein, 1,
UBQ_TIP4P_Bulk_Water_residue_0.350_nm_Average_Statistics.dat
^
SyntaxError: invalid syntax
And I see nothing on the screen
Could you help me ?
Thanks
St?phane
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