Changes between Initial Version and Version 1 of Ticket #5954, comment 2
- Timestamp:
- Jan 19, 2022, 10:05:48 PM (4 years ago)
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Ticket #5954, comment 2
initial v1 1 1 I made the ChimeraX phenix douse command work with maps with non-zero origin by shifting the input atom coordinates and then shifting back the output coordinates with the waters. 2 2 3 I also improved the water display showing just the waters and nearby residues, and the map near those waters as a transparent surface. 3 I also improved the water display showing just the waters and nearby residues, and the map near those waters as a transparent surface. Might be nice to add hbonds to the waters to aid assessment. 4 4 5 5 It would be nice to have a list of the waters in a gui to click on each to focus the view on it to be able to assess if it is correct. A gui should also allow easy deletion of incorrect waters. It will also need an easy way to adjust the map contour level. The command could output an html table of waters to the log with clickable links to focus on each. Map contour level when focusing on each water could be auto chosen to show the water density.