Re: [PyMOL] Angle between two structure upon alignment

2012-11-01 Thread Thomas Holder
Hi Appu,

if I understand you correct then you have a structure with at least two 
domains. If you align two conformations of that structure, one domain 
does not get superposed nicely. Right?

The psico module provides the command angle_between_domains, which 
is what you are looking for I guess.

Example: (tilted domain spans residues 100 to 150)

PyMOL align s1, s2
PyMOL select d1, s1 and resi 100-150
PyMOL select d2, s2 and resi 100-150
PyMOL angle_between_domains d1, d2

This requires numpy and psico installed.

Download psico:
https://github.com/speleo3/pymol-psico

Hope that helps.

Cheers,
   Thomas

Appu kumar wrote, On 11/01/12 04:50:
 Dear user
Can you please help me in finding the angle
 between two structure upon alingment. I have aligned two structure and
 one structure is not perfectly aligned on other. There is domain of two
 structure tilting outward upon alignment. IS there any way to find the
 angle between two structure. Thanks in advances.

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[PyMOL] electron density map

2012-11-01 Thread Mehdi Talebzadeh Farooji
Dear All,

I am trying to create a electron density map for the pdb file which is not 
deposited in RCSB bank, however I do not find any option on 
http://eds.bmc.uu.se/eds/. Is there any way to get density map for the pdb 
files which are not deposited in pdb data bank?

All the best,

Mehdi
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Re: [PyMOL] electron density map

2012-11-01 Thread Troels Emtekær Linnet
Hi mehdi.

Look for inspiration here.
http://www.pymolwiki.org/index.php/Dynamic_mesh

fetch 1HWK, async=1
fetch 1HWK, 1hwk_map, type=2fofc, async=1

Best
Den 01/11/2012 18.09 skrev Mehdi Talebzadeh Farooji mahdi...@yahoo.com:

 Dear All,

 I am trying to create a electron density map for the pdb file which is not
 deposited in RCSB bank, however I do not find any option on
 http://eds.bmc.uu.se/eds/. Is there any way to get density map for the
 pdb files which are not deposited in pdb data bank?

 All the best,

 Mehdi


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