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 <tsje...@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.abra...@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 > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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