Dear Modeller users;
I have been using Modeller v. 3c for some time and more recently
started to use v. 4h for my modelling projects. However, version 4
seems to give worse results with regards to stereochemical
quality (e.g., checked by PROCHECK). I used the same top.file
for both versions but the results were different.
Very recently I found out, that my v. 4h is compiled with single precision,
while v. 3c is compiled with double precision. Could this be the
reason for difference in quality of results? Is the version 4 available with
double precision?
Thank you for your reply.
Best wishes,
Jiri
* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
Dr. Jiri Damborsky
Laboratory of Biomolecular
Structure & Dynamics
Masaryk University
Kotlarska 2
611 37 Brno
Czech Republic
e-mail:
phone: +420-5-41129 377
FAX: +420-5-41129 506
http://web.chemi.muni.cz/~jiri