Add ability to filter out alternate atom locations from PDB#831
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… behavior), and a terse form that just reads the box and warns if it looks weird (so CRYST1 output is not repeated).
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Jenkins failure is that no CUDA-capable devices were found on the runner, so not a code failure. |
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Adds new keyword to both
parmandtrajincommands for PDB files:Allows one to keep only a specific alternate location ID if desired. Update manual and add a test.