[ccp4bb] Coot Labels

2014-04-13 Thread GRANT MILLS
Dear CCP4BB, I've been struggling with coot labels for some time. The issue is that coot grinds when even a single label is on the screen, I've tried to fix this but nothing seems to work. I'm at the point now where I just want them turned off permanently. Is there a way I can turn off all lab

Re: [ccp4bb] Vector approximation of B-strands

2014-02-03 Thread GRANT MILLS
Hi Napo, Thank you so much, this is exactly what I was looking for. Kind Regards, Grant From: Napoleao Fonseca Valadares [n...@ifsc.usp.br] Sent: 04 February 2014 12:18 To: GRANT MILLS Cc: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Vector approximation of B

[ccp4bb] Vector approximation of B-strands

2014-02-03 Thread GRANT MILLS
Dear all, I'm wanting to simplify B-strands in a PDB and my idea was to create a vector which approximates the alpha carbons through the strand. I was thinking I could use some kind of least squares regression but it gets very complicated when extended into the 3rd dimension. Is there a simpler

[ccp4bb] .phenix folder

2013-10-06 Thread GRANT MILLS
Dear all, I'm aware this may not be the right BB for this question but I've searched for some time and am all out of ideas, if you could help it would be much appreciated. I've stupidly lost a .phenix folder and hence can't import the associated data into the phenix GUI, is there another way I

[ccp4bb] Extracting .pdb info with python

2013-06-05 Thread GRANT MILLS
Dear CCP4BB, I'm trying to write a simple python script to retrieve and manipulate PDB data using the following code: #for line in open("PDBfile.pdb"): #if "ATOM" in line: #column=line.split() #c4=column[4] and then writing to a new document with: #with open("selection.pdb"

[ccp4bb] occupancy vs. Bfactors

2012-11-19 Thread GRANT MILLS
Hello all, I'm currently working on a structure which if I stub a certain side chain phenix/coot shows me a large green blob which looks strikingly similar to the side chain, when I put it in and run another refinement the blob turns red. Basically I was just playing around and I changed the oc