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Questions relating to graphing and displaying numerical data

4 votes
2 answers
840 views

High quality molecular renderings

I would like to use a high-quality renderer (physically based path-tracing or MLT) to generate some images of molecular systems I have. Right now I'm just using some of the simple renderers in VMD, b …
Nick's user avatar
  • 301
3 votes
1 answer
103 views

Best file format for bond connectivity?

I need to generate an output file from my molecular data that can be loaded into VMD to visualize the bond connectivity. I'm not sure what the best choice is. I know the PDB format has a HETATOM rec …
Nick's user avatar
  • 301
2 votes
0 answers
860 views

Optimizing display of millions of triangles per second

I am working on a web-based molecular visualization program for a research project (e.g., one that can display XYZ and PDB files). The current options are outdated (for instance, Jmol uses Java). … My idea has been to use modern web tools so the visualization program is future-proof for a while. I'm using WebGL through Three.js and it seems to be working pretty well. …
Nick's user avatar
  • 301