Opened 6 years ago
Closed 6 years ago
#2095 closed enhancement (fixed)
mmCIF write: support 'relModel' keyword
| Reported by: | Owned by: | Greg Couch | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Input/Output | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: Darwin-18.6.0-x86_64-i386-64bit ChimeraX Version: 0.91 (2019-06-17) Description Want save command keyword "relModel" for saving mmCIF format so a fit atomic model in a density map can be saved relative to the density map coordinates. This keyword is available for saving PDB format but not mmCIF format. Log: UCSF ChimeraX version: 0.91 (2019-06-17) © 2016-2019 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open /Users/goddard/ucsf/chimerax/src/bundles/segger/test.cxs format session opened ChimeraX session > toolshed show "Segment Map" Segmenting 1080, density threshold 1.015837 Showing 1080.seg - 0 regions, 0 surfaces Showing 28 region surfaces 428 watershed regions, grouped to 28 regions Smoothing and grouping, standard deviation 5 voxels No new groups smoothing 5 voxels Showing 14 region surfaces Got 14 regions after smoothing 6 voxels. Simulating map res 8.000, grid 2.000 > molmap #3 8.000000 sigmaFactor 0.187 gridSpacing 2.000000 replace false Top score: 0.90530, z-score: 13.66756 (avg: 0.8212, stdev: 0.0062) > save /Users/goddard/Desktop/1grl_fit.cif models #3 relModel #1 got an unexpected keyword argument 'rel_model' got an unexpected keyword argument 'rel_model' > usage save save filename [models] [format format] [includeMaps true or false] [width width] [height height] [supersample supersample] [pixelSize a number] [transparentBackground true or false] [quality quality] [center center] [size a number] [shortVertexIndices true or false] [floatColors true or false] [preserveTransparency true or false] [selectedOnly true or false] [displayedOnly true or false] [allCoordsets true or false] [pqr true or false] [relModel a model specifier] [serialNumbering serialNumbering] [atoms atoms] [anchor anchor] [sybylHydNaming true or false] [combineModels true or false] [skipAtoms skipAtoms] [resNum true or false] [gaffType true or false] [alignment alignment] [region map region] [step 1 or 3 integers] [maskZone true or false] [chunkShapes chunkShapes] [append true or false] [compress true or false] [baseIndex an integer] — save data to various file formats filename: name of a file to save/write format: one of aln, bmp, cmap, dcd, dsn6, fasta, gif, gltf, jpeg, markers, mmcif, mol2, mrc, obj, pdb, pir, png, ppm, pseudobonds, segger, session, stl, tiff, or x3d width: an integer ≥ 1 height: an integer ≥ 1 supersample: an integer ≥ 1 quality: an integer ≥ 0 and ≤ 100 center: some numbers serialNumbering: one of amber or h36 atoms: an atoms specifier anchor: an atoms specifier skipAtoms: an atoms specifier alignment: alignment-id chunkShapes: a collection of one of xyz, xzy, yxz, yzx, zxy, or zyx save formats — report formats that can be saved save image filename [format format] [width width] [height height] [supersample supersample] [pixelSize a number] [transparentBackground true or false] [quality quality] — save image filename: name of a file to save/write format: one of bmp, gif, jpeg, png, ppm, or tiff width: an integer ≥ 1 height: an integer ≥ 1 supersample: an integer ≥ 1 quality: an integer ≥ 0 and ≤ 100 save map filename [models] [format format] [region map region] [step 1 or 3 integers] [maskZone true or false] [chunkShapes chunkShapes] [append true or false] [compress true or false] [baseIndex an integer] — save map filename: name of a file to save/write format: one of cmap, dsn6, mrc, or segger chunkShapes: a collection of one of xyz, xzy, yxz, yzx, zxy, or zyx save session filename [includeMaps true or false] — save session filename: name of a file to save/write OpenGL version: 4.1 ATI-2.9.26 OpenGL renderer: AMD Radeon Pro 580 OpenGL Engine OpenGL vendor: ATI Technologies Inc.
Change History (4)
comment:1 by , 6 years ago
| Component: | Unassigned → Input/Output |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → assigned |
| Summary: | ChimeraX bug report submission → mmCIF write: support 'relModel' keyword |
| Type: | defect → enhancement |
comment:2 by , 6 years ago
comment:4 by , 6 years ago
| Resolution: | → fixed |
|---|---|
| Status: | assigned → closed |
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