[PyMOL] KVfinder

2017-02-07 Thread Kingsley Theras Primus Dass .
Hiii I am trying to calculate the volume using KVfinder. But when I proceed, I am encountering error in the initial setp, that I have pasted below. Can someone please suggest why this error is coming. Thank you in advance. Thank You Error: 1 Exception in Tk callback Function: at 0x

[PyMOL] KVfinder

2017-02-07 Thread Kingsley Theras Primus Dass .
Hiii ! I encounter a some error in the very beginning step. can someone please tell me , why I am getting these errors. Thanks in advance. Thank you Error: 1 Exception in Tk callback Function: at 0x0473A278> (type: ) Args: () Traceback (innermost last): File "C:\Program Files\P

Re: [PyMOL] problem with symexp

2017-02-07 Thread Emilia C. Arturo (Emily)
You are absolutely right, Bernhard! I did indeed have another object in the session that contains a resi 131. I increased the cutoff until symmetry mates were indeed generated. Thanks! On Tue, Feb 7, 2017 at 4:54 PM, Bernhard Lechtenberg < blechtenb...@sbpdiscovery.org> wrote: > Hi Emilia > > I

Re: [PyMOL] problem with symexp

2017-02-07 Thread Emilia C. Arturo (Emily)
Hmm. I've stumbled on a clue. In case it's a bug in the code or a finding someone in the future might find useful when stumbling into the same problem, here is what I've just found: These two ways of executing symexp give different results - the first does not generate symmetry mates (again, there

[PyMOL] problem with symexp

2017-02-07 Thread Emilia C. Arturo (Emily)
Hello. I am trying to use symexp to inspect symmetry mates of several structures. I'm mystified about why some input structures lead to quick generation of symmetry mates, while others seem to lead to apparently never-ending symexp execution. All pdb files I've used as input contain a CRYST1 recor