Re: [PyMOL] refinement in morph

2013-03-08 Thread Thomas Holder
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() # f

[PyMOL] refinement in morph

2013-03-07 Thread Jianghai Zhu
Hi, If I turn on the refinement option in morph, the non-covalently bonded atoms like metals and waters are moving around a lot. However, if I turn off the refinement, there are some distortions in my protein. Is there a way to make the non-covalently bonded atoms just move along the transiti