[Cod-bugs] Download using subversion or rsync not working

[Andrius Merkys]

Hi Noel,

On 2020-07-23 18:16, Noel O'Boyle wrote:
> Could I ask an additional question - the sync is in progress, but I'm
> wondering whether it will include SMILES for the molecules? This is
> really what I'm interested in, so I'm wondering do I have to do that
> conversion myself. If so, what conversion procedure do you recommend?

rsync for rsync://www.crystallography.net/cif/ will download only CIF
files. You can download the whole COD SMILES collection as a single file
from here:

https://www.crystallography.net/cod/smi/allcod.smi

These are manually curated SMILES descriptors, derived
semi-automatically as a result of an ongoing project led by Miguel
Quirós Olozábal. The process of their derivation is described in detail
in Quirós et al. 2018, doi:10.1186/s13321-018-0279-6.

Hope this helps,
Andrius