Hi Jianghai,
you need to fix the jumping atoms before doing the refinement. Lets say you
want to fix all chloride ions, it would look like this:
# morph without refinement
rigimol.morph(rin, rout, refinement=0, async=0)
# get rid of the default movie
cmd.mstop()
cmd.frame(1)
cmd.mset()
# fix
Hi Jon,
there is no need to convert the pse file into a script, just write a short
script which loads the pse file in the beginning.
load session.pse
scene 001, recall
viewport 800, 600
png scene001.png, ray=1
You can run that in batch mode.
Cheers,
Thomas
On Mar 6, 2013, at 4:11 PM,