Hi all,
I want to find out whether an atom in a molecule matches to an atom in a
defined substructure.
Let's assume the following:
>>>m = Chem.MolFromSmiles('CS(=O)(=O)N')
>>>sub = Chem.MolFromSmarts('[C]S(=O)(=O)[ND1]')
>>>m.GetSubstructMatches(sub)
((0, 1, 2, 3, 4),)
How can I do the followin
Have a look in 'Code/JavaWrappers/gmwrapper/' not
'build/Code/JavaWrappers/gmwrapper/' ?
Tim
On 22/04/2020 10:36, Thomas Eckert wrote:
Hi folks,
Trying to build RDKit + JavaWrappers from scratch but, in the end, the
JAR files are missing.
Working on a freshly installed Ubuntu 19.10 and fol
Hi folks,
Trying to build RDKit + JavaWrappers from scratch but, in the end, the JAR
files are missing.
Working on a freshly installed Ubuntu 19.10 and followed the steps
described at [1]. All dependencies installed via Ubuntu's apt, no manually
installed libs.
Cloned the RDKit sources to
/h
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