[gmx-users] .pqr to .pdb

[mohsen ramezanpour]

Dear Tsjerk

some information exist in pdb file which are not peresent in pqr and vise
versa.
I want to convert them to eachother in a way to conclude one's information
to the other file.
as you know a typical pdb file has a definite colomns and each of them
present a definite charachter(for example charge,X-coordinate,...)
my pqr has more atoms than original pdb,but It dosen't have any coordinates.
besides converting as you said dosen't solve the problem,because PYMOL can
not read this converted file.it needs a file who has included atoms
coordinates

thanks in advance for your reply
Mohsen

On Thu, Nov 25, 2010 at 9:44 PM, Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:

> Hey,
>
> For this particular conversion you can also usually use 'mv':
>
> mv file.pqr file.pdb
>
> Btw, many of these file types are human readable. It usually helps quite a
> bit to look at the files and get acquainted with the file formats.
>
> Cheers,
>
> Tsjerk
>
> On Nov 22, 2010 12:42 PM, "Mark Abraham" <Mark.Abraham at anu.edu.au> wrote:
>
> On 22/11/2010 10:16 PM, mohsen ramezanpour wrote: > > Dear  All > > I had a
> pdb file who was incompl...
> Ask it for a pdb format. There should be no tool that builds atoms that
> cannot write a standard file format like PDB - particularly as PQR is a
> derivative of PDB.
>
> Oh, and this is a bit off-topic for this list :-)
>
> Mark
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