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- This is about the Ellman libraries of tetrahydropyridines for docking. The files are stored in /nfs/db/eldock/ All libraries so far are cut strictly at 3.5 LogP. In the name, the first letter give th2 KB (421 words) - 00:11, 20 March 2017
- [[Category:Libraries]]1 KB (231 words) - 17:56, 22 June 2015
- Hartwig libraries are ready for docking as follows == Azetidine libraries ==935 bytes (144 words) - 23:11, 12 June 2018
- Biogenic and Biogenic-like libraries in ZINC. ...mpounds that are similar to these biogenic molecules for the biogenic-like libraries. We are also inspired by the Dortmund and Broad/Harvard groups working in t2 KB (358 words) - 15:28, 11 March 2014
- Here are your instructions for building libraries for covalent docking. ...h ZINC to find eligible compounds in screening quantities. See [[Covalent libraries for sale]]1 KB (175 words) - 22:08, 11 March 2015
- 3 KB (454 words) - 23:32, 13 March 2019
Page text matches
- Here are your instructions for building libraries for covalent docking. ...h ZINC to find eligible compounds in screening quantities. See [[Covalent libraries for sale]]1 KB (175 words) - 22:08, 11 March 2015
- Hartwig libraries are ready for docking as follows == Azetidine libraries ==935 bytes (144 words) - 23:11, 12 June 2018
- #REDIRECT [[ZINC Biogenic Libraries]]37 bytes (4 words) - 05:49, 22 February 2013
- Biogenic and Biogenic-like libraries in ZINC. ...mpounds that are similar to these biogenic molecules for the biogenic-like libraries. We are also inspired by the Dortmund and Broad/Harvard groups working in t2 KB (358 words) - 15:28, 11 March 2014
- == Creation of bespoke libraries == == Table of CB bespoke libraries ==2 KB (276 words) - 17:44, 2 August 2023
- The chemistry commons libraries are available via swcc.docking.org.242 bytes (32 words) - 19:24, 29 August 2022
- * Chemists use the chemistry commons to articulate and enumerate libraries of accessible compounds * With our assistance, libraries in 2D and 3D are prepared and made available.2 KB (326 words) - 19:18, 20 September 2023
- * libraries that sample more of chemical space are more likely to find hits517 bytes (76 words) - 05:02, 14 February 2014
- This is about the Ellman libraries of tetrahydropyridines for docking. The files are stored in /nfs/db/eldock/ All libraries so far are cut strictly at 3.5 LogP. In the name, the first letter give th2 KB (421 words) - 00:11, 20 March 2017
- == Physical-property-based screening libraries ==2 KB (411 words) - 22:00, 16 October 2015
- 3. prepare Boost for building the libraries: ...THON_ROOT/lib, which is simply a directory of simlinks to important shared libraries.4 KB (649 words) - 18:34, 10 April 2017
- * build 3d, to build docking libraries934 bytes (135 words) - 05:27, 9 August 2022
- ...f driving services on one computer from another. We use the Python XML RPC libraries to support both Perl and Python clients. We offer a range of services at se1 KB (181 words) - 13:37, 1 May 2014
- [[Category:Libraries]]1 KB (231 words) - 17:56, 22 June 2015
- * common : Common libraries or tools for dockenv1 KB (148 words) - 04:19, 1 October 2015
- [[Building_The_3D_Pipeline_ZINC22| How to build libraries for DOCK 3.8]] Please note that you only need to build libraries if you do not want to use ZINC-22, and if you do not want to use the free 33 KB (413 words) - 17:06, 8 April 2023
- ...ite us asking about doing chemical reactions in the computer to create new libraries of compounds.1 KB (179 words) - 04:21, 1 October 2015
- # Install vaex - dataframe library for huge libraries1 KB (174 words) - 07:49, 5 November 2020
- When we receive chemical libraries from vendors, they need to be processed and then uploaded to the database.1 KB (202 words) - 18:09, 30 June 2022
- ...sans error messages that sometimes occur when using recently built ligand libraries</nowiki>2 KB (274 words) - 04:52, 3 March 2023
- This service (enumeration) enumerates libraries based on reactions defined in the chemistry commons.2 KB (256 words) - 20:21, 15 March 2023
- * Download Libraries (lib.tar.gz)2 KB (269 words) - 18:07, 9 March 2023
- See [[Openeye python libraries]].2 KB (228 words) - 20:23, 7 October 2022
- ...i is a older and light-weight version of RDKit that contains the essential libraries. If you want to use full RDKit please use Anaconda/Miniconda)2 KB (261 words) - 22:01, 4 August 2022
- This happens because the required software libraries are not installed on whichever machine you are logged in to. ...er@n-1-17, ssh user@n-1-16, etc.) which are guaranteed to have the correct libraries and run it there.5 KB (856 words) - 21:15, 24 June 2022
- ...it linux architecture, though depending on the distribution certain shared libraries may be missing.2 KB (368 words) - 22:21, 31 May 2023
- ...s not loaded in ZINC12, and is only available in 2D (and possibly covalent libraries)2 KB (308 words) - 19:45, 24 March 2018
- * zinc - database preparation and processing, including covalent docking libraries upload: upload molecules for standard preparation using zinc pipeline. Libraries uploaded in this way may be used by docking6 KB (882 words) - 00:14, 2 October 2015
- ...org) or John Irwin for more information on how to repack Very Large ligand libraries.3 KB (413 words) - 22:02, 27 March 2023
- ...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
- ...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 wo6 KB (948 words) - 17:05, 8 April 2023
- * 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
- * PHP MySQL Libraries3 KB (439 words) - 06:42, 13 March 2014
- 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
- 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
- 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
- delete sea related libraries (fitcore, fpcore, libcore, seacore, seashell, seaserver) from your site-pac4 KB (577 words) - 17:34, 11 October 2019
- ...a Message Passing Interface (MPI) library. Because of the vagaries of MPI libraries, building parallel DOCK has more pitfalls than installing the serial versio4 KB (607 words) - 01:28, 2 September 2020
- ...a "orientation spheres") and precalculates scoring grids. It also prepares libraries of compounds for calibration calculations. There are three sub-stages of ta4 KB (686 words) - 20:02, 8 October 2012
- ...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_PATH10 KB (1,616 words) - 18:11, 9 March 2023
- ...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 Libraries18 KB (2,918 words) - 17:56, 4 September 2018
- Libraries: DB Libraries:10 KB (1,446 words) - 23:37, 19 November 2018
- = Available Libraries =6 KB (844 words) - 17:03, 27 July 2021
- 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
- Because of the vagaries of MPI libraries, building parallel DOCK8 KB (1,195 words) - 19:52, 10 January 2019
- ...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
- Registering Shared Libraries31 KB (2,718 words) - 18:46, 30 June 2016
- echo ' - Updating Compute Resource Libraries'11 KB (1,504 words) - 16:12, 21 August 2018
- * Install perl libraries11 KB (1,504 words) - 03:03, 8 July 2022