Difference map peaks dialog does not find difference map peaks

pemsley / coot

Software for macromolecular model-building

http://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot/

GNU General Public License v3.0

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Difference map peaks dialog does not find difference map peaks #99

Closed olibclarke closed 7 months ago

olibclarke commented 8 months ago

Hi,

The Difference Map Peaks dialog in the Validation menu in 1.06-pre seems to be broken - it does not find difference map peaks, no matter the threshold set. E.g. try 1BL8, which has a pretty obvious ~6.5sig positive peak in the middle of the channel.

Cheers Oli

pemsley commented 8 months ago

Confirmed - thanks.

pemsley commented 7 months ago

Fixed in 72f229236ba791a8cf23b2b9f204d470af3e92e2.

olibclarke commented 7 months ago

Hi @pemsley - I just tested this using the latest commit with 1BL8, and it does not seem to be fixed:

Looking at the terminal, it seems to be filtering out all peaks that are not directly in contact with the protein:

INFO:: n_peaks outside of contact with protein (and thus ignored): 1520