rasbt
Support for Zinc22
This package has been beneficial, but Zinc12 and 15 are not responding at the time of writing. Along with Zinc20, the websites are down. Zinc22 - https://cartblanche22.docking.org/ - is up. Is there any news on updating this package to use the latest resources? If needs must, I could look into updating the code for Zinc22, but I'm not sure where you got the information; for example, where did you get the Zinc15 information?
min_len = 12
base_path = 'http://zinc15.docking.org/substances/'
line_lookup = 'id="substance-smiles-field" readonly value="'
first_linesplit = line_lookup
second_linesplit = '">'
Glad to hear that the package has been useful to you in the past! Arg, and it sounds frustrating that these servers are not active anymore but I guess a lot of time has past since then ...
Personally, I am not working in bio anymore and am a bit overcommitted with other projects at the moment, so I wouldn't have time to maintain this any longer. However, if you ever have time to submit a PR or so, I'd be happy to merge.
but I'm not sure where you got the information; for example, where did you get the Zinc15 information?
That's a good question. It's so many years (9?) ago that I honestly can't remember. I probably looked it up in the HTML page source.
It has been quite a while, and I'm no longer involved in ZINC but I believe there was an extended maintenance period that resulted in numerous services being down. It appears to be back up. If the issues persist, please let me know and I can reach out to the team and see what can be done to restore the necessary features --- and maybe introduce support for newer versions of ZINC.
