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> wrote: > Hi Paolo, > > Thank you. You spoonfed me! > > Nicolas > > On 5 May 2020, at 17:25, Paolo Tosco <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 > listRdkit-discuss@lists.sourceforge.nethttps://lists.sourceforge.net/lists/listinfo/rdkit-discuss > > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > 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
