Changes in version 14.32.82:
print {1.1}.find("SMILES","MF")
print {1.1}.find("SMILES","MF", true)
print "CCCC".find("SMILES","MF")
print "CCCC".find("SMILES","MF", true)
LOAD xxxx.mol FILTER "noHydrogen" (Or just "NOH")
LOAD xxxx.mol FILTER "no3D"
Changes in version 14.32.83:
FILTER "NOH"
(or FILTER "NO3D"
) can be used to not minimize or add hydrogensallowing @1.symop(@2,...)
rather than @1.symop(@1, @2,...)
MODELKIT ADD @1 "N" {0 1/4 1/4}
properlyUpdates may require up to 24 hours to propagate to mirrors. If the following command doesn't work, please retry later:
sudo dnf upgrade --refresh --advisory=FEDORA-2023-228bda82f5
Please login to add feedback.
This update has been submitted for testing by jjames.
This update's test gating status has been changed to 'ignored'.
This update has been pushed to testing.
This update has been submitted for stable by bodhi.
This update has been pushed to stable.