Re: [PyMOL] Sausage representation

2017-04-27 Thread Thomas Holder
Hi Daniel,

Apparently, no b-factors were assigned, or the CA positions in all states are 
identical.

Here is a similar script, maybe that works better for you (uses “rmsf2b” from 
PSICO):

run 
https://raw.githubusercontent.com/speleo3/pymol-psico/master/psico/editing.py
fetch 1nmr, async=0
rmsf2b 1nmr
spheroid 1nmr
as cartoon
cartoon putty
spectrum b, blue_white_red, 1nmr & guide

Hope that helps.

Cheers,
  Thomas

> On Apr 27, 2017, at 4:11 PM, Daniel Munoz Escudero  
> wrote:
> 
> Hello,
> 
> I found in this repository http://muralab.org/~cmura/PyMOL/ an script 
> (average3d.py) to perform the sausage representation in PyMOL. Although it 
> works perfectly good with the pdbs given in the examples, I couldn't get the 
> same results for my molecule. After performing all the RMSD calculations (I 
> have 51 states in my molecule), the message: " Extrude-Warning: invalid putty 
> settings (division by zero)", appears right after the command: 
> cmd.spectrum('b','blue_white_red','yesfit_ALL and name CA')
> 
> I really don't know what the problem is. Has anyone had a similar problem and 
> could help me out?
> 
> Thank you very much,
> 
> Daniel.

--
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.


--
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
___
PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net

[PyMOL] Sausage representation

2017-04-27 Thread Daniel Munoz Escudero
Hello,

I found in this repository http://muralab.org/~cmura/PyMOL/ an script
(average3d.py) to perform the sausage representation in PyMOL. Although it
works perfectly good with the pdbs given in the examples, I couldn't get
the same results for my molecule. After performing all the RMSD
calculations (I have 51 states in my molecule), the message: "
Extrude-Warning: invalid putty settings (division by zero)", appears right
after the command: cmd.spectrum('b','blue_white_red','yesfit_ALL and name
CA')

I really don't know what the problem is. Has anyone had a similar problem
and could help me out?

Thank you very much,

Daniel.
--
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot___
PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net