Alexander Rose
Alexander Rose
Following up on @dsehnal comments in #198 > Would it be possible to do the sphere/cylinder geometry instancing too? > > There could be a single sphere and cylinder instance...
Mostly visible with lower resolution grids.   [mol-star_state_2021-5-15-11-53-50.zip](https://github.com/molstar/molstar/files/6488052/mol-star_state_2021-5-15-11-53-50.zip)
Add support for exporting non-bonded interactions as part of the `Structure` mmCIF exporter. This needs `cifExport` support in `src/mol-model-props/computed/interactions.ts`. With that `src/mol-model/structure/export/mmcif.ts` can be used.
Currently symmetry transformations are done per-chain. This works mostly fine for macro molecules (with some exception, for example it doesn't fill unitcell of 2D3E). It does not work small molecule...
Show nucleotide rings/blocks for multiple locations (including from microheterogeneity). One option is to get all alt ids occurring for a residueIndex and then loop over them and use the alt...
Should extend the existing cli/chem-comp-bonds/ script (renamed to chem-comp). Data should go to src\mol-model\structure\model\types\carbohydrates.ts. Include all chemical components with the string 'SACCHARIDE' included in their type (`_chem_comp.type`). Extract `_pdbx_chem_comp_identifier.identifier` Will...
Would allow to color volumes by other volumes, color structures by volumes, color volumes by structures. First step has been done with `AssignColorVolume` in https://github.com/molstar/molstar/blob/master/src/mol-plugin-state/transforms/volume.ts
Would make it easier to communicate with external code that only needs residue/sequences info. Would simplify sequence widget code.
When doing, e.g., distance measurements between, e.g., residues it would be nice to draw two little proxy spheres at the end of the dashes distance measurement line. Hovering over the...
see http://comcifs.github.io/cif-json.html