> obfit '(c1c1).(c2c2)' mol1.sdf mol2.sdf
Open Babel does not support the '.' operator in SMARTS. So obfit can't support
fitting multiple fragments at once.
Hope that helps,
-Geoff
--
RSA(R) Conference 2012
Mar 2
Hi,
I was trying to use obfit to fit some catalyst with a common part which
consists of Cp--Zr--Cp. I did not manage to get the job done, I finally
switched to a simple system of 2 not bond benzene rings (mol2.sdf file),
which I tried to fit onto the same system that was rotated (mol1.sdf
file).
