Rich,
You won't be able to reproduce the exact number of molecules shown in
Mercury, especially with this particular model, which has atoms spread out
over a very large number of unit cells. Options, particularly with that
upgrade I pointed to, not at all with 12.0, and not with the currently
Plenty of things wrong with 12.1.51_dev. I've done a lot of changes there,
and I'm still working out the bugs. I wasn't able to use my VPN to update
files from the Gordon Conference, so that's gotten a bit behind. I'll do an
upload, and we can check it out.
I'm not seeing the problem at
Simon,
Here's what I've used. It obviously only works for molecular systems and
can be somewhat slow for very large molecules/unit cells. Bob can probably
figure out a more efficient way to do this, but it works for me. In these
examples I've deleted any molecules that I don't want to see -
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