Justin A. Lemkul wrote:
Joseph Johnson wrote:
I have tried to export .pdb files from ChemBio3D Ultra but it does not
do a very good job. What is the best or simply a good, reliable
method of generating a .pdb file?
If it is simply a formatting issue, you can fix it yourself using the
PDB format guidelines:
http://www.wwpdb.org/docs.html
If the software just isn't well-suited to this purpose, I find that the
PRODRG server is useful for such purposes.
I forgot to ask - what kind of structures are you trying to export? Small
molecules can be handled by PRODRG, but proteins/lipid membranes/nucleic acids
and such are too large to be supported.
-Justin
-Justin
Thanks for your help :)
Casey
------------------------------------------------------------------------
Insert movie times and more without leaving Hotmail®. See how.
<http://windowslive.com/Tutorial/Hotmail/QuickAdd?ocid=TXT_TAGLM_WL_HM_Tutorial_QuickAdd1_052009>
------------------------------------------------------------------------
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before
posting!
Please don't post (un)subscribe requests to the list. Use the www
interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
