[ccp4bb] Solved: PDB file column-cut-paste issues
Thanks everyone for all your suggestions. What's the issue? Each residue has one CSV value (per residue value) and the PDB line contains many lines of B-values per residue. This would leave us with no easy one-to-one line correlation between the B-value column and the CSV column. From what I understand, that would rule out a simple cut-and- paste in nedit solution. Basically, the student wanted to colour the molecule by chemical shift. It took a couple of PhDs in the lab to figure out the solution. The SOLUTION: Many folks have apparently had the same issue before and therefore, someone (aka Warren Delano, I guess), wrote a script for precisely the same and posted an example script on the PymolWiki. All that was needed was a more extensive Google search :) Your suggestions and tips will be diligently used elsewhere. Cheers, Raji
Re: [ccp4bb] Solved: PDB file column-cut-paste issues
Raji Edayathumangalam wrote: Thanks everyone for all your suggestions. What's the issue? Each residue has one CSV value (per residue value) and the PDB line contains many lines of B-values per residue. This would leave us with no easy one-to-one line correlation between the B-value column and the CSV column. From what I understand, that would rule out a simple cut-and- paste in nedit solution. Basically, the student wanted to colour the molecule by chemical shift. The SOLUTION: Many folks have apparently had the same issue before and therefore, someone (aka Warren Delano, I guess), wrote a script for precisely the same and posted an example script on the PymolWiki. Oh dear - too late :-(. You can do it in Coot too! (The solution is on the Coot Wiki now) http://xanana.ucsc.edu/~wgscott/xtal/wiki/index.php/Coot#Example_Scheme_Script_7:_Applying_arbitrary_value_to_.22B.22_factor_column Paul.
Re: [ccp4bb] Solved: PDB file column-cut-paste issues
Ooh..la la! Where were you 12 hrs ago when we were suffering brain damage! Cheers! Raji PS: Thanks! Oh dear - too late :-(. You can do it in Coot too! (The solution is on the Coot Wiki now) http://xanana.ucsc.edu/~wgscott/xtal/wiki/index.php/Coot#Example_Scheme_Script_7:_Applying_arbitrary_value_to_.22B.22_factor_column Paul. -End of Included Message--
