Re: [Rdkit-discuss] Non-standard Heavy Atoms and CHemFP Fingerprints

2017-05-23 Thread Markus Heller
ject: Re: [Rdkit-discuss] Non-standard Heavy Atoms and CHemFP > Fingerprints > > On May 19, 2017, at 21:59, Markus Heller <mhel...@cdrd.ca> wrote: > > [In chemfp] I get the following error: > > > > [11:37:55] Explicit valence for atom # 6 Te, 4, is greater than >

Re: [Rdkit-discuss] Non-standard Heavy Atoms and CHemFP Fingerprints

2017-05-19 Thread Andrew Dalke
On May 19, 2017, at 21:59, Markus Heller wrote: > [In chemfp] I get the following error: > > [11:37:55] Explicit valence for atom # 6 Te, 4, is greater than permitted > ERROR: Cannot parse the SMILES > 'CC(C)(/C(=C\\Cl)/[Te-2](c1ccc(cc1)OC)(Cl)Cl)O' at line 155850 of >