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...s the internal page for loading ZINC. If you are not a ZINC curator, this page will probably not be interesting.

This page describes how to use TLDR:blaster2.0 service to create dockfiles for large

...le, alongside a sample file. blastermaster.py described on the [[Dock3.7]] page writes an INDOCK file for you, which you can modify.

This assumes that you have already created the a key pair. See this page [[How to generate ssh keys securely]]. The public key has been put onto por ...calhost that points to gimel and will connect through epsilon (a different name for portal).

...are some things you need to be aware of. These are described in this wiki page: [[ZINC-22 Clean Up in Jan 2022]]

* 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

...e additional information about actives and inactives for this target. This page provides a quick overview of preparing input files for docking. It also ref and the [[DOCK Blaster]] main page.

...d consult the changed version written for you, or take a finer look at the page on the DOCK3.7 INDOCK file.

* 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

* 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

* 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: