It's availalbe from the org.RDKit.RDKFuncs class. e.g:
String RDKFuncs.standardizeSmiles(String smiles)​
RWMol cleanup​(RWMol mol)
TIm
On 28/04/2020 15:09, Thomas Eckert wrote:
That helped, thanks! Didn't realize 'make install' was needed after
building the wrappers - I had built without the
That helped, thanks! Didn't realize 'make install' was needed after
building the wrappers - I had built without the wrappers first, trying to
detect problems iteratively.
So now I'm able to use the wrappers in Java but noticed not all "core
functionality" is covered by the wrappers. Specifically,
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
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
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