[gmx-users] .pqr to .pdb

[Maximiliano Figueroa]

Hi,

if your pqr file has not coordinates, is impossible convert to PDB. What is
the format of the original file?.
However, the PQR file normally has more atoms because add hydrogens.

Can you paste a little part of your pqr and pdb?

Best regards

Maxi

On Thu, Dec 2, 2010 at 3:24 PM, mohsen ramezanpour <
ramezanpour.mohsen at gmail.com> wrote:

> 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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