[HN Gopher] Show HN: Open-source protein and ligand viewer
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       Show HN: Open-source protein and ligand viewer
        
       I just published an open-source protein and ligand viewer. Goal:
       fast and easy-to-use. Long-term: It's a platform for docking and
       molecular dynamics. The basic functionality for viewing and
       inspecting work. I'm currently working on Coot-like electron-
       density viewing.  I'm gradually splitting it into standalone libs,
       published to crates.io. Some are up already, others are integrated,
       and will be split off when sufficiently mature and decoupled.  Uses
       parallel execution when able, through thread pools (Rayon), CPU
       SIMD and Cuda.  The default control scheme is non-standard, unless
       you play video games...  Any feedback and critique appreciated!
        
       Author : the__alchemist
       Score  : 19 points
       Date   : 2025-05-23 13:56 UTC (2 days ago)
        
 (HTM) web link (github.com)
 (TXT) w3m dump (github.com)
        
       | landl0rd wrote:
       | This looks really nice, but what's the plugin/extension story?
       | Part of the reason PyMol is popular is bc it's easy to write
       | plugins in Python, which ngl is much closer to what a lot of
       | researchers are comfortable with. This looks way better and I'd
       | love something faster for quick-and-dirty work than PyVol but
       | extensibility is king :)
       | 
       | Thanks for the work on this! It's badly needed.
        
       | gilleain wrote:
       | Looks good. Colour scheme looks a but wacky in the screenshots.
       | Hopefully CPK or other standards are in your backlog :)
       | 
       | (For some reason Rasmol used to have 'hotpink' as a colour
       | option)
        
       | bionhoward wrote:
       | Is this "scriptable" in rust? I have a lot of Pymol scripts I'd
       | love to rewrite in rust
        
       | colingauvin wrote:
       | I'm a structural biologist working for a small biotech. Very
       | interested in alternatives to PyMOL and ChimeraX. Took it for a
       | small spin, right away I'm unable to move with the mouse using
       | the free cam. Also was unable to open a .pdb file that I had
       | locally (fetching from RCSB worked though). Really cool work thus
       | far though.
       | 
       | what type of docking are you planning to support? Autodock? Or
       | something from scratch?
        
         | landl0rd wrote:
         | Second this question; would be really cool if we had solid
         | support for some of the qvina2/qvina-w/gpuvina implementations
         | too along with stuff like haddock for affinity-based protein-
         | protein.
         | 
         | P.S. putting this here since I can't edit prior comment; fails
         | to build on mac. It looks like you may have local updated
         | versions of dependency crates (bio_apis) not pushed to gh since
         | I see things like missing `rcsb::load_validation_2fo_fc_cif`,
         | `f32x8` (I assume this is SIMD?), derive(Debug) on ReqError,
         | etc. even with your forked versions of the crates.
        
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       (page generated 2025-05-25 23:02 UTC)