PDB2PQR

Hi Davide,

Sorry, but I can hardly find any connection between this issue and PDB2PQR.
Hopefully you will find better answers from VMD or PROPKA mailing lists.

Thanks,

Yong


On Mon, Nov 22, 2010 at 10:48 PM, Davide Mercadante <
dmer018@...> wrote:

> Dear pdb2pqr users,
>
> I have successfully installed the propka plugin into VMD for the
> visualization of the pKa for the residues of my protein. I have created a
> .pqr file and a propka file defining the residues protonation at a right pH.
>
>
> However, having the pqr file and the pka file created using the PDB2PQR
> webserver, VMD is not able to load them.
> I am getting the following error when I try to load the propka file
> (attached).
>
> bad window path name ".loadpdb"
> bad window path name ".loadpdb"
>     while executing
> "wm title $::PropKa::w "PropKa   $::PropKa::pkafile""
>     ("foreach" body line 4)
>     invoked from within
> "foreach tmpfile $filetest {
>                 set ::PropKa::pkafile $tmpfile
>                 set ::PropKa::jobdir [file dirname $::PropKa::pkafile]
>     ..."
>     invoked from within
> ".propka.menubar.file.menu invoke active"
>     ("uplevel" body line 1)
>     invoked from within
> "uplevel #0 [list $w invoke active]"
>     (procedure "tk::MenuInvoke" line 50)
>     invoked from within
> "tk::MenuInvoke .propka.menubar.file.menu 1"
>     (command bound to event)
>
> Can you please help me to understand why?
>
> Thank you infinitely in advance,
>
> Regards,
> Davide
>
>
>
> --
> Davide Mercadante - PhD student -
> Department of Chemistry
> The University of Auckland
> Rm 438 ext. 89171
> 1142 Auckland, New Zealand
>
>
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