Re: [AMBER] trouble with pdb4amber

From: Jennifer L. Muzyka <jennifer.muzyka.centre.edu>
Date: Mon, 26 Feb 2018 14:49:42 +0000



Sent from my iPad

> On Feb 25, 2018, at 12:53 PM, David A Case <david.case.rutgers.edu> wrote:
>
>> On Sun, Feb 25, 2018, Jennifer L. Muzyka wrote:
>>
>> We are working through the tutorials for AmberTools 17 found in the
>> Amber 2017 manual. We get stuck on the one involving pdb4amber (page
>> 200). When we use the command pdb4amber -i orig.pdb, -o new.pdb —reduce
>> —dry, we get a message that says
>
>> Traceback (most recent call last):
>> File “/opt/amber16/bin/pdb4amber”, line 6, in <module>
>> from pdb4amber import pdb4amber
>> ImportError: No module named pdb4amber
>
> This indicates that your python installation is not correct for Amber.
>
> 1. Did you accept the offer to install miniconda when you configured
> AmberTools? If not, what other choices did you make?
>
I can see miniconda in the amber16 directory. Is it correct to assume that I accepted the offer to install it?


> 2. What is the first line of $AMBERHOME/bin/pdb4amber? (Note this file
> just loads other python modules, which do the real work.)


>
> ...thx...dac
>
>
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Received on Mon Feb 26 2018 - 07:00:03 PST
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