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#190 MAP for cavities

closed
nobody
None
5
2011-04-20
2011-04-19
Alexander Rose
No

It would very nice if MAP would work also for cavity isosurfaces

tested with 12.0.40

load =3dqb;
isosurface SASURFACE MAP PROPERTY temperature

=> works nicely

isosurface CAVITY MAP PROPERTY temperature

script ERROR: invalid argument
----
isosurface cavity mapProperty >> property << temperature

=> but not with cavities

Discussion

  • Bob Hanson

    Bob Hanson - 2011-04-20

    this was a bug. Fixed for Jmol 12.1.43 and 12.0.41. See http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip

    Also, added in 12.1.43 is the ability to remap isosurfaces with different data:

    # new feature: isosurfaces can be remapped.
    # isosurface molecular map property temperature
    # isosurface map property partialcharge
    # isosurface vdw
    # isosurface map mep

     

  • Bob Hanson

    Bob Hanson - 2011-04-20
    • status: open --> closed
     

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