It’s for an old internal tool that we are updating. It has apparently some strict parsing rules at the moment.
> On 6 May 2020, at 10:37, Greg Landrum <greg.land...@gmail.com> wrote: > > Out of curiousity, which software are you using that can't read those index > values? > > On Wed, May 6, 2020 at 11:25 AM Nicolas Bosc <nb...@ebi.ac.uk > <mailto:nb...@ebi.ac.uk>> wrote: > Hi Paolo, > > Thank you. You spoonfed me! > > Nicolas > >> On 5 May 2020, at 17:25, Paolo Tosco <paolo.tosco.m...@gmail.com >> <mailto:paolo.tosco.m...@gmail.com>> wrote: >> >> Hi Nicolas, >> >> quick and dirty solution: strip it with a regex, e.g. >> >> sed 's|^\(> <.*>\) *([0-9]*)|\1|' >> >> HTH, >> p. >> >> On 05/05/2020 16:35, Nicolas Bosc wrote: >>> Hi RDKit users, >>> >>> Writing molecules in a sdf with properties automatically add a number after >>> the property name which is the position of the associated molecule in the >>> file: >>> > <idx> (1) >>> CHEMBL123 >>> >>> How can I change this so there is no number? The program that I am using to >>> read the sdf file fails because of this... >>> >>> Thanks, >>> >>> Nicolas >>> >>> >>> >>> _______________________________________________ >>> Rdkit-discuss mailing list >>> Rdkit-discuss@lists.sourceforge.net >>> <mailto:Rdkit-discuss@lists.sourceforge.net> >>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >>> <https://lists.sourceforge.net/lists/listinfo/rdkit-discuss> > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > <mailto:Rdkit-discuss@lists.sourceforge.net> > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > <https://lists.sourceforge.net/lists/listinfo/rdkit-discuss>
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
