VMD-L Mailing List

From: Jeff Saxon (jmsstarlight_at_gmail.com)
Date: Fri Nov 06 2020 - 07:40:58 CST

Great, thank you so much!
could you give me contacts of this person please?
Actually, I've loaded plugin :-0 but it could not load input DLGs with
following error (i am using tutorial!)
no files matched glob pattern "*-Trypsin.pdb"
no files matched glob pattern "*-Trypsin.pdb"

although I am sure that I am doing everything correctly...

пт, 6 нояб. 2020 г. в 14:26, Paolo Conflitti <paolo.conflitti_at_gmail.com>:
>
> Hi Jeff,
>
> yes, that plugin allows you to work directly with dlg files and it has a
> reclustering function.
> Simone, who is actually maintaining the plugin, can fill you in on other
> functionalities and maybe help you with your issue.
>
> Best,
> Paolo
>
> Il 06/11/2020 13:27, Jeff Saxon ha scritto:
> > thank you Paolo!
> > It seems that there is a problem with the plugin. I've just tried to
> > install it with my vmd 1.9.3 (on windows) following all of the
> > instructions and although it appeared in the Analysis menu, while
> > clicking on it I got an error message from VMD
> > vmd > ERROR) Creation of window for 'ddt' failed (invalid command name
> > "ddt_tk").
> > mb I should try with my mac version of VMD
> > anyway does it allow to work directly on DLG filles and do some
> > operations on it (combining, reclustering)?
> > Thanks in advance!
> >
> > пт, 6 нояб. 2020 г. в 10:00, Paolo Conflitti <paolo.conflitti_at_gmail.com>:
> >> Hi,
> >> There is a plugin called Drug Discovery Tool (DDT) that is available
> >> here: https://sites.google.com/site/vittoriolimongelli/downloads.
> >>
> >> Best regards,
> >> Paolo Conflitti
> >>
> >> Il 05/11/2020 17:45, Jeff Saxon ha scritto:
> >>> Dear VMD users!
> >>> Could you tell me whether there is some vmd's plugin that allows me to
> >>> read directly DLG filles (produced by autodock) and make some basic
> >>> operations on the conformational ensembles of the ligand?
> >>> I've tried to load directly DLG files from terminal command line
> >>> vmd *.dlg
> >>> but it recognized it as an attempt to load PDB files and eventually did nothing.
> >>>
> >>> Thank you for your help
> >>> J.
> >>>