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[[Portal:Erice2010 | return to main workshop page]]

An Oracle OCI account is also required, with payment attached. (payment page goes here) ...et key and access key are, follow this tutorial: (my secret access key web page)

...ults (returned block size, provides fast results as first 100 returned for page, then can continue searching while visualization calls present the webpage) Family clustering on results page. eg instead of showing 25 stereoisomers, show a non-stereo compound and giv

This page allows you to select any subset of chemical space you would like. There are

This page details the databases on Smallworld

http://zinc.docking.org/results?page.format=zinc&filter.purchasable=purchasable&zinc.id=$ZINC_ID wget -qO- http://zinc.docking.org/results?page.format=zinc&filter.purchasable=purchasable&zinc.id=53

This page describes setting up a full computational pharmacology research lab. We des

...cking.org api15.docking.org]. Requests may be invoked starting from a web page, or by using curl or wget. As much as possible, each operation is atomic, ...tion, and action and arguments are defined in the relevant section of this page.

...script with a special requirement, please message me so I can update this page and make the python version widely available. My email is ben@tingle.org.

...king.org zinc15.docking.org] and clicking the mouse and/or typing into web page fields. No editing of the URL is necessary. Free and public, no special acc

* [[Problems]] page for a general overview of all problems. * [[Bugs]] page for information about bugs. Please report bugs to support at docking.org.

[http://zinc.docking.org/browse/catalogs/ Subsets->Catalog] page. If there is a catalog you would like to see loaded, please write to databa * [http://facebook.com/zincdb ZINC Facebook page contains links to sites that use ZINC]

This page is written by Trent E. Balius (FNLCR) on March 28, 2020.

Single landing page for lab procedures affected by the campus closure due to Covid19.

2) Edit and save omega.parm (using the same name) in your favorite editor. An example of omega.parm is shown at the bottom of this page. Settings you may want to consider changing are:

...ready, all you are doing is loading pages and browsing results. Loading a page of 500 results into the browser could take a minute, but will often be less

...ut it can be broken down to two main processes: scoring and sampling. This page is about sampling (in DOCK). ...actually sampled in the docking process. This is what is described on this page.

...re NNNN is the NSC number you are seeking. That will lead you to a result page that has menu picks for related structures.

This is the ZINC problems page, which describes all the problems specific to [[ZINC]].