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JensKrumsieck / CIFLoader3

CIF-File Loader for Three.js
MIT License
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Uncaught TypeError: molLoop is undefined #1

Open webciter opened 3 years ago

webciter commented 3 years ago

getting Uncaught TypeError: molLoop is undefined in console from parsing https://www.rcsb.org/ligand/H20 CIF File

JensKrumsieck commented 3 years ago

Seems like the IUCr (International Union of Crystallography) and the RCSB PDB have different opinion what a CIF file should look like. The RCSB PDB not only uses different strings for naming the loop-columns but also stores data an cartesian coordinates whereas the IUCr CIF Files use fractional coordinates. This loader currently applies to the IUCr standard as these are the type of cif files we use. As of today the only option will be to use a pdb file with the pdb loader from the threejs examples directory (through some kind of converter (mercury, openbabel, avogadro, chimeraX, etc))