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Loading split .pdb files for large structures #1

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ghost opened this issue Sep 19, 2019 · 1 comment
Open

Loading split .pdb files for large structures #1

ghost opened this issue Sep 19, 2019 · 1 comment

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@ghost
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ghost commented Sep 19, 2019

Is there a syntax for loading multiple/split .pdb files? Large structures (e.g. 5XTH) are not contained in a single .pdb file, but rather multiple ones (either that or a single .cif/.xlm file). I suspect there must be a way since the web interface has no problem fetching the complete structure from the PBD ID alone, but I'm having trouble pulling that off using the command file.

@dsgoodsell
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Currently, no. The program is limited to single files with traditional PDB format. A kludgey work-around is to append all the files into one big file. I think the current version is limited to 350,000 atoms, so if you end up with something larger, you'll need to go into the Fortran and increase the size of the arrays.

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