Hello Eric - thank you so much for the quick turnaround! My responses are below. - ir

On 1/18/2022 8:39 PM, Eric Pettersen wrote:

On Jan 14, 2022, at 4:06 PM, Ishwar Radhakrishnan via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:

Hello - I would like to request two features in ChimeraX that we use a lot in Chimera:

Hi Ishwar,

Thanks for letting us know what's missing that's important to you. It helps us prioritize.

1. Render by Attribute

This is being worked on and might, maybe make the 1.4 release. Well, in some form. Initially probably only Render/Colors and Select. Not too much later Render/Radii, but probably much later Render/Worms, since that last one will require significant additions to the ribbon-depiction code. If Render/Worms is very important to you, pipe up! :-)

I'll add you to the recipient list for the ticket we have for this so that you will automatically be notified when progress occurs.

Render by Attribute/Colors is what we use the most to map NMR chemical shift perturbations on to a structure, so I'm glad that it's receiving the highest priority!

2. Ability to read .poc files created by CASTp

This had been pretty low priority. Are we talking about structures that you've run CASTp on by hand rather than fetched from the database? The database doesn't seem to include any recent structures.

Yes, I'm talking about the ability to read .poc files for structures for which we have manually asked CASTp to calculate pockets on their webserver.

--Eric

Eric Pettersen

UCSF Computer Graphics Lab