Re: [PyMOL] Display metal coordination

[Markus H. <mh...@cd...>]

Hi Thomas,

Ya, something like that would work.  Thank you very much!

Markus

> -----Original Message-----
> From: Thomas Holder <tho...@sc...>
> Sent: Wednesday, August 29, 2018 1:33 AM
> To: Joel Tyndall <joe...@ot...>; Markus Heller <mh...@cd...>
> Cc: pym...@li...
> Subject: Re: [PyMOL] Display metal coordination
> 
> Hi Markus and Joel,
> 
> Would something like this address your needs?
> 
> # show metal contacts
> distance metalcoordination, metals, (donors acceptors), 3.5, label=0 # show
> metals as semi-transparent spheres show spheres, metals set
> sphere_transparency, .5 # show the metal neighbors as lines show lines, byres
> (all within 3.5 of metals)
> 
> The "metals" selector was added in PyMOL 1.6.1.
> 
> Cheers,
>   Thomas
> 
> > On Aug 24, 2018, at 1:29 AM, Joel Tyndall <joe...@ot...> wrote:
> >
> > Hi Markus,
> >
> > I am not aware of this function in pymol but would be interested in one being
> developed.
> >
> > J
> >
> > -----Original Message-----
> > From: Markus Heller <mh...@cd...>
> > Sent: Friday, 24 August 2018 6:28 AM
> > To: pym...@li...
> > Subject: [PyMOL] Display metal coordination
> >
> > Hi all,
> >
> > Is there a way to display the coordination of a metal, e.g. Zn2+ or Mg2+, that
> doesn't require manual selection of atoms and showing of bonds?
> >
> > I wasn't able to find anything online ...
> >
> > Thanks
> > Markus
> 
> --
> Thomas Holder
> PyMOL Principal Developer
> Schrödinger, Inc.