Dear colleagues,
For a review, I'd like to re-create a picture of an ELF of a water molecule
similar to the example at http://www.pymolwiki.org/index.php/Ramp_New in a
different orientation and with different colours perhaps. I have no experience
with the calculation of ELFs nor with TopMod, so I wonder if would be possible
to just obtain the H2O_elf.cube and the H2O_esyn.cube files used in the example
above (Schrödinger?)? Needless to say, this will be properly acknowledged in
any publication.
Cheers,
Uli
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dr ulrich gohlke
staff scientist - macromolecular structure and interaction
max-delbrück-center for molecular medicine (mdc)
+49 30 9406 - 2725<tel:+49%2030%209406%20-%202725> (w)
+49 30 9406 - 2548<tel:+49%2030%209406%20-%202548> (fax)
[email protected]<mailto:[email protected]>
http://www.mdc-berlin.de/en/research/research_teams/macromolecular_structure_and_interaction/
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