Alexander Rose
Alexander Rose
Support upcoming pdbx_[chain/entity]_remapping mmCIF categories https://github.com/wwpdb-dictionaries/mmcif_pdbx/commit/6826be6a2ec6269b31eb5ff547548c01a0eeb88f
We currently only support a limited set of crystallographic spacegroups. In particular we are missing the settings number from the International Tables for X-Ray Crystallography and associated Hermann-Mauguin names. This...
Issue #313 asks for support to add a formal charge label to a representation. I suggest a more general solution to this for the built-in label representation. We could add...
Add a formal-charge color theme similar to `mol-theme/color/partial-charge.ts`. Related to #313.
Support loading all blocks from a mmcif file, i.e., to show all models. Currently only the first block is loaded. Came up in #251.
- src\mol-plugin-state\helpers\structure-clipping.ts - src\mol-plugin-state\helpers\structure-overpaint.ts - src\mol-plugin-state\helpers\structure-substance.ts - src\mol-plugin-state\helpers\structure-transparency.ts
Investigate non-normalized normals observed by @sukolsak in #174.
Improve direct-volume rendering control points UI by building on PR #10 which is too outdated now. Improvement ideas - Select multiple points and move/delete them as a group - Add...
Add histogram display to isovalue controls, revisiting PR #11 which is too outdated now. The idea is to show the distribution of values to make choosing an isovalue for a...
To stabilize 3d printed models we can add a struts structure representation that adds artificial bonds between trace atoms. Chimera's struts command: https://www.cgl.ucsf.edu/chimera/current/docs/UsersGuide/midas/struts.html.