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

From here you can click the button Manager App to access the manager page, or simply go to The user name is admin. The password is the usual password.

BKS cluster members can follow the instructions on this page: [[Search zinc22.py]] to look up ZINC IDs and vendor codes outside of cartb

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

See our examples page for examples of the new questions that may be asked. [[ZINC15:examples]].

This page is about how to clean up your AWS account after you have finished docking.

...MLRPC) services. These are based on supported [[XML RPC Procedures]]. This page is a crib sheet on how to use these services. Note that the use of docking.

Welcome to the lab! This page organizes topics of interest to group members, our collaborators and anyone ...]s for an account on the cluster, and a workstation. Tell us what account name you prefer.

...will automatically be transferred to the '''Substructure Search Results''' page. The search will result in over 450 hits, indicating that the fragment is p ...the ‘tree’ can be expanded by clicking on the + sign next to the structure name. Asp189 is an important anchor in the S1 pocket of serine proteases.

...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.

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

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).

* 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