Re: [ccp4bb] backbone b-factor

2009-09-16 Thread Eleanor Dodson
Choose another graph from the loggraph - it also gives the main chain alone and the side chains alone (not so useful!) Eleanor Salameh, Mohd A., Ph.D. wrote: Dear All, I would like to prepare a plot showing the b-factor of only the alpha carbon and/or the backbone atoms and I wonder if

Re: [ccp4bb] backbone b-factor

2009-09-16 Thread Salameh, Mohd A., Ph.D.
@jiscmail.ac.uk Subject: Re: [ccp4bb] backbone b-factor Choose another graph from the loggraph - it also gives the main chain alone and the side chains alone (not so useful!) Eleanor Salameh, Mohd A., Ph.D. wrote: Dear All, I would like to prepare a plot showing the b-factor of only the alpha carbon

Re: [ccp4bb] backbone b-factor

2009-09-16 Thread Navdeep Sidhu
Hi Mohd: The script below should also be able to edit the PDB file according to both of your needs. Think it is also easily modified to use for other similar PDB file editing needs. Best wishes, Navdeep # #! /usr/bin/gawk -f # #

[ccp4bb] backbone b-factor

2009-09-15 Thread Salameh, Mohd A., Ph.D.
Dear All, I would like to prepare a plot showing the b-factor of only the alpha carbon and/or the backbone atoms and I wonder if somebody knows a module or software that I can use, I tried the structure analysis/Temperature factor analysis module in CCP4 but it plots the average b-factor of all

Re: [ccp4bb] backbone B-factor

2009-09-15 Thread Palm
Dear Mohd, to plot the B-factors, I would read the pdb file in Excel (or similar). Take care that 5.45 is read as a number and not as a string, which happens at least in German versions because of the . instead of the German,. Specify the decimal separator. The sort by Atmon name to get all

Re: [ccp4bb] backbone b-factor

2009-09-15 Thread Pavel Afonine
Hi Mohd, here is how using PHENIX tools: Step 1: phenix.pdbtools model.pdb keep=backbone Step 2: phenix.pdbtools model_backbone_only.pdb --show-adp-statistics Please let me know if you have questions about the above tools. Pavel. On 9/15/09 9:37 AM, Salameh, Mohd A., Ph.D. wrote: Dear

Re: [ccp4bb] backbone b-factor

2009-09-15 Thread Charlie Bond
Hi Salameh, Not sure if you mean a graph of B-factor vs sequence, or a 3D structure plot. Either way you can get such a plot using aline http://crystal.bcs.uwa.edu.au/px/charlie/software/aline/ which can produce a sequence alignment (or single sequence) coloured by B-factor (CA, Main, Side