On 09/14/2016 02:23 PM, Dimitri Maziuk wrote:
> lbl=mol.GetAtomWithIdx(s[0]).GetSymbol() + str(s[0]+1)
> print label, ":", s[1]
^^^
Should be lbl-- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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