Re: [PyMOL] ccmutate

2016-04-25 Thread Thomas Holder
Hi Martin,

short answer: Your PyMOL version is too old, this script works with PyMOL 1.8.

PyMOL 1.8 can download fragments from PDBeChem with type=cc, e.g.:

PyMOL> fetch ALA, type=cc

I assume you found the ccmutate script on my user page. It's an experimental 
script to provide a mutation command with all the fragments which are available 
from PDBeChem.

Cheers,
  Thomas

On 23 Apr 2016, at 18:15, Martin Hediger <ma@bluewin.ch> wrote:

> I found the ccmutate script on the pymol wiki
> 
> I tried it but I receive a weird error:
> 
> PyMOL>ccmutate "ALA", resi 112
> Traceback (most recent call last):
>   File 
> "/opt/local/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/site-packages/pymol/parser.py",
>  line 254, in parse
> self.result=apply(layer.kw[0],layer.args,layer.kw_args)
>   File "021_scripts/ccmutate.py", line 47, in ccmutate
> cmd.fetch(code, tmp_frag, type='cc', zoom=0)
>   File 
> "/opt/local/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/site-packages/pymol/importing.py",
>  line 1417, in fetch
> r = _multifetch(*args)
>   File 
> "/opt/local/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/site-packages/pymol/importing.py",
>  line 1352, in _multifetch
> discrete, multiplex, zoom, type, path, file, quiet, _self)
>   File 
> "/opt/local/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/site-packages/pymol/importing.py",
>  line 1263, in _fetch
> raise ValueError('type')
> ValueError: type
> 
> 
> What could be going on? The PyMOL mutagenesis wizard in any case works when I 
> do the mutation by hand.
> 
> Thanks for hints
> Martin
>  
> --
> Martin R. Hediger, PhD
> Mittlere Strasse 65
> 4056 Basel

-- 
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.


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[PyMOL] ccmutate

2016-04-23 Thread Martin Hediger

I found the ccmutate script on the pymol wiki

I tried it but I receive a weird error:

PyMOL>ccmutate "ALA", resi 112
Traceback (most recent call last):
  File 
"/opt/local/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/site-packages/pymol/parser.py", 
line 254, in parse

self.result=apply(layer.kw[0],layer.args,layer.kw_args)
  File "021_scripts/ccmutate.py", line 47, in ccmutate
cmd.fetch(code, tmp_frag, type='cc', zoom=0)
  File 
"/opt/local/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/site-packages/pymol/importing.py", 
line 1417, in fetch

r = _multifetch(*args)
  File 
"/opt/local/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/site-packages/pymol/importing.py", 
line 1352, in _multifetch

discrete, multiplex, zoom, type, path, file, quiet, _self)
  File 
"/opt/local/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/site-packages/pymol/importing.py", 
line 1263, in _fetch

raise ValueError('type')
ValueError: type


What could be going on? The PyMOL mutagenesis wizard in any case works 
when I do the mutation by hand.


Thanks for hints
Martin



--
Martin R. Hediger, PhD
Mittlere Strasse 65
4056 Basel

--
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Applications Manager provides deep performance insights into multiple tiers of
your business applications. It resolves application problems quickly and
reduces your MTTR. Get your free trial!
https://ad.doubleclick.net/ddm/clk/302982198;130105516;z___
PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
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Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net