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<p>Hi all,<br>
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<p>I'm trying to determine uncommon ligands in pdb files using a python code, but have run into an odd dilemma.</p>
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<p>In my code, I open a pdb in Chimera, select the ligand, and write out the residue list<span style="font-size: 10pt;">. </span><span style="font-size: 10pt;">However, the formatting of this list changes depending on how I run the program.</span></p>
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<p><span style="font-size: 10pt;">If I run the program through xterm, it will print out only residue numbers. If I run the program though Chimera's Idle, however, I will get the residue codes and the residue numbers. </span></p>
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<p><span style="font-size: 10pt;">For example, I ran this with 3VKG, you can see the results in the attached files, where I show a sample code of what I'm using, the xterm results and the Chimera results.</span></p>
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<p>I want to do this for a large number of pdbs, so I'd like to do this --nogui through xterm, but I need the residue codes. Has anyone else ran into this problem or know of a work-around? Thanks in advance.<br>
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<p>Best,<br>
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<p>Korbin West<br>
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<p>Wabash College<br>
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