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* P1.1. Go to the benchmarking data page [http://data.docking.org/ data.docking.org] and browse the DUD40 set, selec * P2.1. Go to the [http://blaster.docking.org | DOCK Blaster main page] and select [http://blaster.docking.org/start.shtml | Queue A Job] from the

* P1.1. Go to the benchmarking data page [http://data.docking.org/ data.docking.org] and browse the DUD40 set, selec * P2.1. Go to the [http://blaster.docking.org | DOCK Blaster main page] and select [http://blaster.docking.org/start.shtml | Queue A Job] from the

...ne to address the issue and leave it here for a month. We'll make another page with problems that were resolved (soonish). ...jobs running. Upon checking n-1-113, there was no active process with her name yet the SGE queue indicated she had an active job. This problem only seeme

Neutral-fragments (#17) are what the name suggests: uncharged fragments. Why would you want this? Charged compounds o ...lity to create small subsets. You can do this via the ZINC results browser page after a search by clicking on "create subset". Another way, if you have the

...w key pair for your instance. Use RSA encryption and give it a descriptive name, making sure to save the .pem or .ppk file somewhere you will remember it. Now launch your instance, this will bring you to a page showing your instance's ID. Click on that ID to view the details of your in

...torsion angle positions reside in an editable file (see flex_drive.tbl on page 111) which is identified with the flex_drive_file parameter. Internal clash

This page describes how to set up a database server.

→ back to [[Dock Users' Meeting Minutes (DUMM)|DUMM main page]]

Cluster 4 is our self-centric name for the SciNet cluster in Canada. (1.1) go to the following page and click Register:

Select “create bucket” in the top right. Give your bucket a name and confirm creation of the bucket When you click on a file or directory, it will bring you to a page either describing the details of the file, or listing the contents of the d

→ back to [[Dock Users' Meeting Minutes (DUMM)|DUMM main page]]

...blic rename to <schema_name>; # <schema_name> is going to match the schema name setup in script 0_load_chembl_database.R ...ase it timing out, you could specify the page where it timed out by adding page=<page_num>

This page describes checking out ZINC22 SMILES tranches for 3D building.

For fail2ban install and configuration go to page For logwatch install and configuration go to page

2. You can write a wiki page to document the problem you see

''Click [[:Category:ZINC|ZINC Category page]] for documentations.'' Please see the [http://zinc15.docking.org/catalogs catalogs] page. If there is a catalog you would like to see loaded, please write to databa

The purpose of this page is to document how mol2db works and any changes made to mol2db, and is not

We think DUD might be useful as part of a [[Docking Competition]]. This wiki page may be used to discuss DUD and to report results. We welcome all helpful fe

...filtered-out compound is justified with a reason, available via the vendor page. Every compound in every supplier catalog we load has one of four fates:

Every subset page and every vendor page has a special link for downloading the subset on Windows and on Unix, which