Unable to download all 2D and 3D drug-like

[senerozonder]

Dear Irwin,

First, thank you for your efforts in serving and maintaining this great database!

I am trying to download all the 2D and 3D drug-like tranches, but it seems that I have been unable to download all of them.

For the 2D data, I used the file from the website containing curl commands, which has 1,399 links. However, the number of files downloaded is only 1,272. (I ran the script twice, but some files still did not download.)

For the 3D data, I used the file with wget commands, which contains 801,804 links. The number of files downloaded is 274,764.

How can I ensure that I download all the drug-like molecules? Or, is there a way I can purchase them on a flash drive?

Thank you for your help.

[jir322]

Hi - We don't offer flash drives. You got 1272 out of 1399. 91%. Not bad. Can you send one or two of the 1399 - 1272 =127 so we can investigate please? For the 3D, you got 274,764 of 801,804. This is much less good. Just send us 10 files of the 801804-274764 = 527,040 10 is enough. If we figure out what went wrong with those, then you can try again, and see if we can get closer to 99%.

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First, thank you for your efforts in serving and maintaining this great database! I am trying to download all the 2D and 3D drug-like tranches, but it seems that I have been unable to download all of them. For the 2D data, I used the file from the website containing curl commands, which has 1,399 links. However, the number of files downloaded is only 1,272. (I ran the script twice, but some files still did not download.) For the 3D data, I used the file with wget commands, which contains 801,804 links. The number of files downloaded is 274,764. How can I ensure that I download all the drug-like molecules? Or, is there a way I can purchase them on a flash drive? Thank you for your help. — Reply to this email directly, view it on GitHub <#76>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ABIR2H3EYHSHK6E4HJAQ6O3Z2WCJFAVCNFSM6AAAAABPVINRNOVHI2DSMVQWIX3LMV43ASLTON2WKOZSGU3TMOBSGE3TSNY> . You are receiving this because you are subscribed to this thread.Message ID: ***@***.***>

[senerozonder]

Here are some from the not downloaded ones:

2D with curl:
H06M400.smi.gz
H28P480.smi.gz

3D with wget:
H25P210-O-taaafx.pdbqt.tgz
H25P100-N-naafax.pdbqt.tgz
H26P250-K-naaobj.pdbqt.tgz
H20P010-N-nce.pdbqt.tgz
H25P140-N-naagrs.pdbqt.tgz
H25P110-N-naaemy.pdbqt.tgz
H23P060-N-xuz.pdbqt.tgz
H21P070-N-nca.pdbqt.tgz
H22P000-N-ncx.pdbqt.tgz
H23P350-N-naaagj.pdbqt.tgz

Thank you.

[senerozonder]

Hi Irwin,
Any updates on this? Anxious to download the whole library.
Thanks.