On 2015-11-19 05:28, Alexandre Fassio wrote: > Right, it's true. But, for example, if I have 8 ligands covalently bonded I > would like to consider these 8 ligands as it were only one ligand and search > on the mmCIF dictionary for a ligand that represents the 8 ligands together. > Because by searching an ID for each ligand separately I wouldn't be > considering the covalent bonds between them.
I think our best option is to e-mail e.g. depo...@deposit.rcsb.org or whatever other help address they have (deposit is the one for people submitting structures -- but they will forward your question to the right people) and ask "how do I find all entries containing e.g. NAG-NAG-BMA-BMA-MAN-BMA-MAN-MAN-BMA-BMA" sequence. Dimitri ------------------------------------------------------------------------------ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
