Converting pdb to pqr

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Converting pdb to pqr

Amitoj S. Chopra

There are websites using python to convert a pdb to a pqr. I was wondering if
there is a simpler way to do it. We have a protein in pdb format, and want
to convert that to a pqr file so that the program apbs can open it. We want
to accomplish this conversion in R. Thank you for your help.


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Re: Converting pdb to pqr

David Winsemius

On Feb 10, 2010, at 1:02 AM, Amitoj S. Chopra wrote:

>
> There are websites using python to convert a pdb to a pqr. I was  
> wondering if
> there is a simpler way to do it. We have a protein in pdb format,  
> and want
> to convert that to a pqr file so that the program apbs can open it.  
> We want
> to accomplish this conversion in R. Thank you for your help.

 From context and the fact that apbs does not show up in a search, I  
am guessing that it is a BioC function and that you would be better  
off posting on the correct mailing list.

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David.

>
>
> --
> View this message in context: http://n4.nabble.com/Converting-pdb-to-pqr-tp1475426p1475426.html
> Sent from the R help mailing list archive at Nabble.com.
>
> ______________________________________________
> [hidden email] mailing list
> https://stat.ethz.ch/mailman/listinfo/r-help
> PLEASE do read the posting guide http://www.R-project.org/posting-guide.html
> and provide commented, minimal, self-contained, reproducible code.

David Winsemius, MD
Heritage Laboratories
West Hartford, CT

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