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Openbabel to work with optimize command in pymol

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Openbabel to work with optimize command in pymol

Bhattacharjee, Arnab
Hi

I was trying to compile the openbabel (2.4.1) in my mac. both in bash and tcsh the command Cmake is not found. My goal is to use optimize in pymol, for which I need openbabel. Any pointer to solve this?

best regards
Arnab
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Re: Openbabel to work with optimize command in pymol

Fredrik Wallner
Hi,

I'd say that the easiest way to get python access to OpenBabel, is to use the conda distribution (”conda install openbabel”) provided that you install and use the Anaconda Python distribution (www.continuum.io/downloads).

Kind regards,
Fredrik

On 3 mars 2017 18:27 +0100, Bhattacharjee, Arnab <[hidden email]>, wrote:
Hi

I was trying to compile the openbabel (2.4.1) in my mac. both in bash and tcsh the command Cmake is not found. My goal is to use optimize in pymol, for which I need openbabel. Any pointer to solve this?

best regards
Arnab
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Re: Openbabel to work with optimize command in pymol

Geoff Hutchison
In reply to this post by Bhattacharjee, Arnab
> I was trying to compile the openbabel (2.4.1) in my mac. both in bash and tcsh the command Cmake is not found. My goal is to use optimize in pymol, for which I need openbabel. Any pointer to solve this?

Homebrew?
% brew install open-babel

http://brewformulas.org/OpenBabel

Cheers,
-Geoff
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Re: Openbabel to work with optimize command in pymol

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In reply to this post by Bhattacharjee, Arnab
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Re: Openbabel to work with optimize command in pymol

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