Hi everyone:
I am trying to reduce my clashscore in Coot using Molprobity. I can get the dots to display alright, but they do not update when I change the rotamer/angles. Here's my .coot
(define *probe-command* "/gdata1/deacona/molprobity/molprobity3/bin/linux/probe")
(define *reduce-command* "/gdata1/deacona/molprobity/molprobity3/bin/linux/reduce")
(set-find-hydrogen-torsion 1)
(set-do-probe-dots-on-rotamers-and-chis 1)
(set-do-probe-dots-post-refine 1)
(set-rotamer-lowest-probability 0.5)
Anything I need to add to the file?
Thanks a lot,
Alex
--
Alexandra M. Deaconescu, Ph.D.
Damon Runyon Cancer Research Foundation Postdoctoral Fellow
Grigorieff Laboratory
Brandeis University
Rosenstiel Center
415 South St. MS-029
Waltham, MA 02454
For deliveries:
c/o Grigorieff Laboratory
Brandeis University
415 South St.
Kalman Receiving Dock
Waltham, MA 02454
|