[chimerax-users] ChimeraX VTK Export

[Angelos Angelopoulos]

Hi Tom,

Thank you very much for porting it. I will try it out as soon as possible.

Sincerely,
Angelos Angelopoulos

On Thu, Mar 19, 2020 at 6:51 PM Tom Goddard <goddard at sonic.net> wrote:

> Hi Angelos,
>
> Ok, I ported the Chimera VTK exporter to ChimeraX, will be in tomorrow's
> ChimeraX builds.  That code was originally contributed by Shawn Waldon as
> part of the SketchBio project in 2013.  It exports to an ascii legacy VTK
> file data for only molecular structures and surfaces (not density maps).
> For molecular structures it exports points and lines for the atoms and
> bonds, and for surfaces it exports a mesh.  At each point (atoms and
> surface) it exports attributes of the associated atom: modelNum, atomNum,
> resType, resNum, atomType, bFactor, occupancy, chainPosition.  The
> modelNum, atomNum, resNum are integer indices (0 based).  The models are
> numbered 0,1,2... sequentially (it does not use the model id from
> chimerax).  The atom and residue numbers are the position in the list of
> atoms and residues for the entire structure they belong to.  atomType and
> resType are what ChimeraX calls the atom name and residue name, e.g. CA and
> TRP.  chainPosition is the residue index divided by the number of residues
> within the chain that the atom belongs to.
>
> I used the ParaView 5.8.0 viewer to check the exported VTK including the
> atom attributes.
>
>         Tom
>
>
> > On Mar 18, 2020, at 5:36 PM, Angelos Angelopoulos <aangelos28 at gmail.com>
> wrote:
> >
> > Hello,
> >
> > It would be absolutely great if ChimeraX supported exporting to a VTK
> file like Chimera did. Are there any plans to port the VTK export
> functionality from Chimera to ChimeraX? If not, please consider doing it.
> >
> > Thank you very much.
> >
> > Sincerely,
> > Angelos Angelopoulos
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>
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