Re: [AMBER] Problem with script

From: Pengfei Li <>
Date: Mon, 6 Sep 2021 17:18:34 -0500

Dear Kalaiarasi,

I guess you did not have the pymsmt package in your PYTHONPATH.

In the script you can find the following lines:
    from pymsmt.mol.pdbio import get_atominfo_fpdb
except ImportError:
    from msmtmol.readpdb import get_atominfo_fpdb
Which means at first it will try the first import scheme, which is consistent with the later pymsmt versions, and if failed, it will try the second import scheme, which is consistent with the previous pymsmt versions.

Hope it helps,

> On Aug 31, 2021, at 12:44 AM, Kalaiarasi Chinnasamy <> wrote:
> Dear Pengfei,
> I was trying to do the tutorial but <> I encountered the following error using script. Here is the Error message:
> $ -i FE.pdb -o mol2 FE.mol2 -c 3
> Traceback (most recent call last):
> File "", line 13, in <module>
> from msmtmol.readpdb import get_atominfo_fpdb
> ImportError: No module named msmtmol.readpdb
> I will appreciate it if you could kindly help me to solve the problem.
> Regards,
> Kothari Post doctoral Fellow
> Prof. B. Gopal's Lab
> Molecular Biophysics Unit
> Indian Institute of Science
> Bangalore-560 012

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Received on Mon Sep 06 2021 - 15:30:03 PDT
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