From: Dr M. B. <mj...@ca...> - 2019-03-22 11:58:32
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Hello, I'm trying to recolour the B factors in a pymol file with chemical shift differences (from NMR data). There's a nice script here for this http://pldserver1.biochem.queensu.ca/~rlc/work/pymol/ (data2bfactor.py) and also a simpler one here https://figshare.com/articles/Pymol_script_loadBfacts_py/1176991. In both cases after loading the script with the run command, when I execute the script I get the following error data2b_res 1d3z.pdb, shift_to_b.txt Selector-Error: Invalid selection name "1d3z.pdb". ( 1d3z.pdb )<-- The pdb file and list of new b-factor values are in the same directory and can be filled in with tab-completion. I've also tried using the full file path but get a similar error. I've tried with a couple of different pdb files as well so it's not just a problem with that particular pdb file. I'd be grateful if anyone has any experience with this or suggestions as to what is going wrong. Thanks in advance, Mark |