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#514 closed enhancement (fixed)
Make mmCIF read aniso_u (temperature factors)
| Reported by: | Tom Goddard | Owned by: | Greg Couch |
|---|---|---|---|
| Priority: | major | Milestone: | |
| Component: | Input/Output | Version: | |
| Keywords: | Cc: | tic20@… | |
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
Would like the mmCIF file reader to read anisotropic temperature factors from the _atom_site_anisotrop
table. The PDB file reader correctly reads these. An example PDB entry is 3a02.
Tristan Croll needs this for calculating maps from molecular structures using the ccp4 Clipper library.
Change History (2)
comment:1 by , 9 years ago
| Resolution: | → fixed |
|---|---|
| Status: | assigned → closed |
comment:2 by , 7 years ago
| Component: | mmCIF Reader/Writer → Input/Output |
|---|
reducing # of categories, so lumping into I/O category
Note:
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Support for atom_site_anisotrop table has been added for just the U matrix. It is assumed to be a fixed column table the same way the atom_site table is.
Please file another ticket if B matrix support is needed or if atom_site.aniso_U* support is needed.