Hi, On Wednesday, 9. May 2007 02:20, George Abadir wrote: > Hi, > I have downloaded the 1HA2.pdb (describing human serum albumin) > file from www.pdb.org and ran pdb2gmx to make a topology file for it. I > got an error message "Source code file: hizzie.c, line: 267 > Fatal error: Incomplete ring in HIS1". I also tried the '-missing' > option and '-ignh' option but still that didn't work. Does anybody know > what it means and how to get around it? > Thank you very much in advance,
you should take a look at the structure in your favorite viewer, perhaps some residues are missing and/ or are not resolved completly by Xray/ NMR. Take a look at REMARKS in this pdb file. Programs for modelling missing residues are: Swiss pdb viewer WHATIF pymol vmd or commercial onces: MOE Accelyrs Discovery Studio greetings, Florian > Regards, > George > _______________________________________________ > 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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- ------------------------------------------------------------------------------- Florian Haberl Computer-Chemie-Centrum Universitaet Erlangen/ Nuernberg Naegelsbachstr 25 D-91052 Erlangen Telephone: +49(0) − 9131 − 85 26581 Mailto: florian.haberl AT chemie.uni-erlangen.de ------------------------------------------------------------------------------- _______________________________________________ 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
