Hi Anthony,
You're on the right track. "etab" is gone now, as you've found.
"ob.GetAtomicNum(element)" is the replacement you're looking for.
Looking through the code, I think it should work now. FYI, if you want to
use Python 3 instead of Python 2, you may also need to replace "f.next()"
with "n
On 6/19/2020 11:16 AM, C Anthony Lewis wrote:
...
File "smog.py", line 16, in smog2mol
atm.SetAtomicNum(ob.cvar.etab.GetAtomicNum(element))
AttributeError: Unknown C global variable 'etab'
ob.cvar.etab.GetAtomicNum(element) looks like you're trying to access
the element table via some
Dear Colleagues,
I hope you are all safe and well at this extraordinary time.
This is a follow-up to messages I sent to the list in late 2013 and early 2014
regarding an old DOS-based program 'SMOG' (see CCL archives
http://www.ccl.net/cca/software/MS-DOS/SMOG/index.shtml and
http://pubs.acs.o
