User contributions for Frodo
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13 February 2014
- 21:3021:30, 13 February 2014 diff hist +35 DOCK 3.7 No edit summary
- 21:2921:29, 13 February 2014 diff hist 0 Ligand preparation No edit summary
- 21:2821:28, 13 February 2014 diff hist +1,096 N Ligand preparation Created page with "Ligand preparation has been modified to use mol2db2 instead of mol2db for database generation. Many other features have also been integrated. To build a set of ligands from SM..."
- 21:2721:27, 13 February 2014 diff hist +6,248 N Mol2db2 format Created page with "<pre> Mol2db2 Format 2 File Format T type information (implicitly assumed) M molecule (4 lines req'd, after that they are optional, 24 lines max) A atoms B bond X xyz R rigid..."
- 21:2321:23, 13 February 2014 diff hist +4 DOCK 3.7 No edit summary
- 21:2221:22, 13 February 2014 diff hist +47 Analyzing DOCK 3.7 Results No edit summary current
- 21:2121:21, 13 February 2014 diff hist +4,710 N INDOCK 3.7 Created page with "<pre> DOCK 3.7 parameter ##################################################### # NOTE: split_database_index is reserved to specify a list of files ligand_atom_file ..."
- 21:1921:19, 13 February 2014 diff hist −2 DOCK 3.7 No edit summary
- 21:1821:18, 13 February 2014 diff hist +1 DOCK 3.7 No edit summary
- 21:1821:18, 13 February 2014 diff hist −25 DOCK 3.7 No edit summary
- 21:1721:17, 13 February 2014 diff hist +306 DOCK 3.7 No edit summary
- 21:1721:17, 13 February 2014 diff hist +175 N Template:Coleman Created page with "This page is adapted from "DOCK3.7 Documentation" by Ryan G. Coleman. Based on a work at [https://sites.google.com/site/dock37wiki/ https://sites.google.com/site/dock37wiki/]."
- 21:1621:16, 13 February 2014 diff hist −281 Template:CC-BY-SA-30 No edit summary
- 21:1021:10, 13 February 2014 diff hist +561 N Template:CC-BY-SA-30 Created page with "[Image:http://i.creativecommons.org/l/by-sa/3.0/88x31.png] This work is licensed under the Creative Commons Attribution-ShareAlike 3.0 Unported License. To view a copy of thi..."
- 21:0021:00, 13 February 2014 diff hist +3,440 N Analyzing DOCK 3.7 Results Created page with "Analyzing DOCK 3.7 results The dock37tools in $d37 contain various analysis programs. Once your jobs are done, you can run: $d37/extract_all.py If you ran a prospective run,..."
12 February 2014
- 20:0420:04, 12 February 2014 diff hist +69 N Hypervisor Created page with "ssh into the hypervisor (apes, rocky, pulp) sudo virsh list --all"
30 January 2014
- 17:1717:17, 30 January 2014 diff hist +166 N Disk full Created page with "if the disk is full, here is how you find out who the major culprits are (example here is /raid1) sudo /usr/sbin/repquota /raid1 | sort -nk3 [{Category:Internal]]"
29 January 2014
- 20:4520:45, 29 January 2014 diff hist +862 N Get ZINC under program control Created page with "More things to not forget <pre> teague:~$ wget -q --post-file smiles-to-lookup.smi "http://zinc.uoft.bkslab.org:8080/inchi -O- ZINC01586379 ZINC00000053 ZINC15202372 teague:..."
- 20:4320:43, 29 January 2014 diff hist +825 N Ring SQL query Created page with "From his bestseller, 101 things to not forget <pre> This just came out of some debugging. Thought you may be interested. It will return the number of occurrences of a particu..."
- 20:4020:40, 29 January 2014 diff hist +1,700 N Cassidy clustering Created page with "These are notes to myself from Teague/Cassidy for the new cluster. [[Category::Internal]] I've written some code to generate Daylight-like fingerprints (Base-64) from the ..."