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  • Repackaging DB2 DOCK38
    ...org) or John Irwin for more information on how to repack Very Large ligand libraries.
    3 KB (413 words) - 22:02, 27 March 2023
  • DOCKovalent 3.7
    ...chembio/journal/v10/n12/full/nchembio.1666.html "Covalent docking of large libraries for the discovery of chemical probes" Nir London, Rand M Miller, Shyam Kris '''Currently available covalent libraries (At the Shoichet lab / cluster 2)'''
    10 KB (1,665 words) - 14:36, 29 July 2019
  • How to compile DOCK
    ...est to log into our "psi" machine, which is known to have the prerequisite libraries. Note: git will not work from psi, so you will need to have the code you wo
    6 KB (948 words) - 17:05, 8 April 2023
  • DOCK 3.7 tutorial (Anat)
    * For small ligand libraries you prepared yourself, run it from the up directory, that now has the ‘di * For virtual screens of Zinc libraries - run the command from the library that has all the tranches (i.e., the ‘
    6 KB (1,016 words) - 16:46, 19 August 2020
  • Install SEA
    * PHP MySQL Libraries
    3 KB (439 words) - 06:42, 13 March 2014
  • Getting started with DOCK 3.7
    Use [[ZINC Subset DB2 file locations]] to locate [[mol2db2 format]] libraries of popular subsets until they are available in [[ZINC]] (later in 2014).
    3 KB (386 words) - 19:03, 10 January 2019
  • Analyzing DOCK Results
    Of course, the plots must be run on a machine with the proper libraries installed, like sgehead.
    3 KB (580 words) - 14:34, 30 March 2020
  • Analyzing DOCK 3.7 Results
    Of course, the plots must be run on a machine with the proper libraries installed, like sgehead.
    3 KB (601 words) - 21:22, 13 February 2014
  • Sea16 restart
    delete sea related libraries (fitcore, fpcore, libcore, seacore, seashell, seaserver) from your site-pac
    4 KB (577 words) - 17:34, 11 October 2019
  • Install DOCK 6
    ...a Message Passing Interface (MPI) library. Because of the vagaries of MPI libraries, building parallel DOCK has more pitfalls than installing the serial versio
    4 KB (607 words) - 01:28, 2 September 2020
  • DOCK Blaster:Progress Bar
    ...a "orientation spheres") and precalculates scoring grids. It also prepares libraries of compounds for calibration calculations. There are three sub-stages of ta
    4 KB (686 words) - 20:02, 8 October 2012
  • Building The 3D Pipeline ZINC22
    ...h shared libraries come up as missing in the error log. Locate all missing libraries and toss them in EXTRALIBS, they will be added to LD_LIBRARY_PATH
    10 KB (1,616 words) - 18:11, 9 March 2023
  • Arkeia
    ...vely, you can access the Backup -> Where to Backup -> Tape Storage -> Tape Libraries; Click Actions on drop down menu -> Manage Drives and Slots; Manage Slots; Go to Backup -> Where to backup -> TapeStorage -> Tape Libraries
    18 KB (2,918 words) - 17:56, 4 September 2018
  • How to Install a Desktop on Cluster 2
    Libraries: DB Libraries:
    10 KB (1,446 words) - 23:37, 19 November 2018
  • DOCK 3.7
    = Available Libraries =
    6 KB (844 words) - 17:03, 27 July 2021
  • Dock3.7
    Of course, the plots must be run on a machine with the proper libraries installed, like sgehead.
    6 KB (1,081 words) - 22:28, 12 June 2017
  • Installing DOCK 6
    Because of the vagaries of MPI libraries, building parallel DOCK
    8 KB (1,195 words) - 01:22, 24 May 2024
  • MUD - Michael's Utilities for Docking
    ...scripts automatically use their invocation path to find other scripts and libraries they depend on.
    8 KB (1,373 words) - 00:57, 11 March 2014
  • Pipeline pilot
    Registering Shared Libraries
    31 KB (2,718 words) - 18:46, 30 June 2016
  • Hypervisor
    echo ' - Updating Compute Resource Libraries'
    11 KB (1,504 words) - 16:12, 21 August 2018
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