VMD-L Mailing List

From: Nicolas Sapay (n.sapay_at_ibcp.fr)
Date: Wed Sep 21 2005 - 13:21:28 CDT

Dear VMD user,
Here, you will find a script that computes the lipid order parameter of
POPC acyl chains over a NAMD trajectory :
http://pbil.ibcp.fr/~nsapay/downloads/NAMDorder.py ---> the python
script
http://pbil.ibcp.fr/~nsapay/downloads/run_NAMDorder.sh ---> a shell
script to run the python script

BE CAREFUL 1! It requires the MDTools python module to run :
http://www.ks.uiuc.edu/~jim/mdtools/

BE CAREFUL 2! It is not completely achieved and is awfully slow. So, it
can contain some mistakes. First tests gives consistent results with
literature (is that really a sufficient?).Additionally it can computes
some funny things such as SCD along glycerol or phosphoscholine (is that
really usefull?).

Enjoy! :o)

Nicolas

PS: Do not hesitate to contact me for more information.

Le mer 21/09/2005 à 19:25, Dow Hurst DPHURST a écrit :
>
>
>
>
>
> Nicolas,
> If you don't mind posting your script or making a download link available,
> it seems several people are interested, including myself! Thanks,
> Dow
>
> __________________________________
> Dow P. Hurst, Research Scientist
> Department of Chemistry and Biochemistry
> University of North Carolina at Greensboro
> 435 New Science Bldg.
> Greensboro, NC 27402-6170
> dphurst_at_uncg.edu
> 336-334-5122 office
> 

-- 
_ Nicolas Sapay ____________________________________________
  Ph.D sudent in structural bioinformatics
  Institut de Biologie et Chimie des Proteines
  CNRS - Claude Bernard University, IFR128 Bioscience Lyon-Gerland
  7, Passage du Vercors      Tel: +33 (0)4 72 72 26 46
  69367-F Lyon cedex 07      Fax: +33 (0)4 72 72 26 04
  France                     Web: http://pbil.ibcp.fr/