Hi,<br><br>if your pqr file has not coordinates, is impossible convert to PDB. What is the format of the original file?.<br>However, the PQR file normally has more atoms because add hydrogens.<br><br>Can you paste a little part of your pqr and pdb?<br>
<br>Best regards<br><br>Maxi<br><br><div class="gmail_quote">On Thu, Dec 2, 2010 at 3:24 PM, mohsen ramezanpour <span dir="ltr"><<a href="mailto:ramezanpour.mohsen@gmail.com">ramezanpour.mohsen@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Dear Tsjerk<br><br>some information exist in pdb file which are not peresent in pqr and vise versa.<br>
I want to convert them to eachother in a way to conclude one's information to the other file.<br>as you know a typical pdb file has a definite colomns and each of them present a definite charachter(for example charge,X-coordinate,...)<br>
my pqr has more atoms than original pdb,but It dosen't have any coordinates.<br>besides converting as you said dosen't solve the problem,because PYMOL can not read this converted <a href="http://file.it" target="_blank">file.it</a> needs a file who has included atoms coordinates<br>
<br>thanks in advance for your reply<br><font color="#888888">Mohsen<br><br></font><div class="gmail_quote"><div><div></div><div class="h5">On Thu, Nov 25, 2010 at 9:44 PM, Tsjerk Wassenaar <span dir="ltr"><<a href="mailto:tsjerkw@gmail.com" target="_blank">tsjerkw@gmail.com</a>></span> wrote:<br>
</div></div><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div><div></div><div class="h5"><p>Hey,</p>
<p>For this particular conversion you can also usually use 'mv':</p>
<p>mv file.pqr file.pdb</p>
<p>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.</p>
<p>Cheers,</p>
<p>Tsjerk</p>
<p></p><blockquote type="cite">On Nov 22, 2010 12:42 PM, "Mark Abraham" <<a href="mailto:Mark.Abraham@anu.edu.au" target="_blank">Mark.Abraham@anu.edu.au</a>> wrote:<br><br><p><font color="#500050">On 22/11/2010 10:16 PM, mohsen ramezanpour wrote:
>
> Dear All
>
> I had a pdb file who was incompl...</font></p>
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.<br>
<br>
Oh, and this is a bit off-topic for this list :-)<br>
<br>
Mark<br><font color="#888888">
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