On Thu, Jul 09, 2020, PRITI ROY wrote:
> igr1=.1-457!.H,
Atommasks require the "&" ("and") symbol to get such an intersection:
igr1='.1-457&!.H*',
If you want to exclude all hydrogens, you need to add the "*" symbol
as above.
You can use the ambmask program to experiment with atom masks, making sure
they are giving you what you want.
....good luck....dac
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Received on Thu Jul 09 2020 - 06:00:03 PDT
