[Chimera-users] Problem with a script calculating distance between residues in a single pdb file with several models

Damien Larivière damien.lariviere at fourmentinguilbert.org
Fri Aug 5 00:47:07 PDT 2011


Dear all,

Here is a single pdb file called modetest_14.pdb. It contains 6 
structures: 1 protein MutS (only chain B) with 5 different conformations 
+ another protein MutL (chains A and B).

In Chimera, the protein with the 5 different conformations is displayed 
as model 0.1 to 0.5. The other protein is model 0.6.

I would like to calculate the distance between the residue 239 of MutS 
chain B (for the 5 conformations) and the residue 169 of MutL chain A.

I wrote this script which reports this error message:  expected an 
indented block (scriptdistance.py, line 4)

*from chimera import runCommand as rc
rc(r"open C:\Program Files (x86)\Hex 6.3\examples\New Hex 
run_SL_250211\FirstRun_S_Ldimer\New_filtering\Eucl_Dist_S246-L297\Top 
solutions\SL0265B\dockLH248\NMA\Test\modetest_14.pdb")
for i in range(1, 6):
rc("distance #0.%d:239.B at N #0.6:169.A at N" % i)*

May you tell me what is wrong? the script correctly opens the file so I 
suppose it is the python string #0.%d (intended to specify 0.1, 0.2,... 
0.5)!?

Thanks for your help

Damien
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