[AMBER] Error running metalpdb2mol2

From: Sam Walsworth (Researcher) <"Sam>
Date: Wed, 10 Nov 2021 11:45:36 +0000

Hi all

I'm trying to use metalpdb2mol2 to convert Ag pdb into mol2 for use in an organosilver complex (metalpdb2mol2.py -i ag.pdb -o ag.mol2 -c 2) when I get the error:

Traceback (most recent call last):
  File "/home/swalsworth/amber20_src/bin/metalpdb2mol2.py", line 10, in <module>
    from pymsmt.mol.pdbio import get_atominfo_fpdb
ModuleNotFoundError: No module named 'pymsmt'

Having read around a previously reported similar error, I noticed that the top line of the metalpdb2mol2.py file is #!/home/usr/amber20_src/bin/amber.python which I believe is what it should be

I also have a pymsmt directory at ~/amber20_src/lib/python3.8/site-packages/pymsmt so I believe everything is in the right place (possibly naively) and as a result am unsure how to resolve the error.

Anyone seen this before?

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Received on Wed Nov 10 2021 - 04:00:02 PST
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