Hi I am wondering if anyone knows a way to convert Xplor distance_restraint files to Amber format (7 or 8 column). Regards Raman asked Sep 24 '10 at 14:05 rparkesh |
Hi, this might help after some tinkering - nut utility - that I've written for various purposes when I was a postdoc. There is a function that properly parses XPLOR restraints. If you can program in Perl, you can write a function that saves data in Amber format after reading XPLOR. Then there is the CCPN format converter, but I don't know if it handles Amber output. answered Sep 24 '10 at 14:33 Evgeny Fadeev |
Thanks for the script. I actually tried the CYANA files directly in AMBER and going through the error massages It worked fine. I will try to use perl to create scripts for converting Xplor files to AMBER format. answered Oct 02 '10 at 10:16 |
Hi Raman, I've edited title a little bit. More informative title helps a lot. Cheers. - Evgeny Fadeev (Sep 24 '10 at 14:14)