split_states <NMR-ensemble object name>
alignto <1st NMR model name>, method=cealign
On 27 August 2014 13:28, James Starlight <jmsstarli...@gmail.com> wrote:
> also please tell me how is it possible to include ter record at the end of
> each model.
>
> James
>
>
> 2014-08-27 11:58 GMT+02:00 James Starlight <jmsstarli...@gmail.com>:
>
> Dear Pymol users!
>>
>> Using below script I can load all pdbs from the work dir into 1 nmr-like
>> object. Could you suggest me how this script could be modified to make
>> alignment (or it's better structural alignment) of all pdbs against first
>> loaded pdb file
>>
>> from pymol import cmd
>> import sys,glob
>>
>> def get_file_list(files):
>> file_list = glob.glob(files)
>> return file_list
>>
>> def load_models(files,obj,discrete=0):
>> """
>> load_models <files>, <object>, <discrete=0>
>>
>> loads multiple files (using filename globbing)
>> into a single object (e.g. from modelling or NMR).
>>
>> use discrete=1 if you want to color individual states separately
>>
>> e.g. load_models prot_*.pdb, prot
>> """
>> if type(files) == type('string'):
>> file_list = get_file_list(files)
>> else:
>> file_list = files
>>
>> if file_list:
>> file_list.sort()
>> for name in file_list:
>> cmd.load(name,obj,discrete=discrete)
>> else:
>> print "No files found for pattern %s" % files
>>
>> cmd.extend('load_models',load_models)
>>
>>
>> Many thanks for help,
>>
>> James
>>
>
>
>
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--
======================================================================
Thomas Evangelidis
PhD student
University of Athens
Faculty of Pharmacy
Department of Pharmaceutical Chemistry
Panepistimioupoli-Zografou
157 71 Athens
GREECE
email: tev...@pharm.uoa.gr
teva...@gmail.com
website: https://sites.google.com/site/thomasevangelidishomepage/
===============================================================
*Physics is the only real science. The rest are just stamp collecting.*
*- Ernest Rutherford*
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