[gmx-users] .pqr to .pdb

[mohsen ramezanpour]

Dear Maximiliano

I reproduce my .pqr file and it has coordinate files too.
I performed what Tsjerk said and I could convert pqr tp pdb file
successfully
Thanks for all
Mohsen

On Thu, Dec 2, 2010 at 6:00 PM, Maximiliano Figueroa <maxfigue at gmail.com>wrote:

> 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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