User contributions for TBalius

6 January 2017

• 22:4922:49, 6 January 2017 diff hist +229‎ Using thin spheres in DOCK3.7 ‎No edit summary
• 22:3722:37, 6 January 2017 diff hist +68‎ Using thin spheres in DOCK3.7 ‎ →‎Tutorial for using Thin Spheres in DOCK 3.7
• 22:2422:24, 6 January 2017 diff hist +87‎ Using thin spheres in DOCK3.7 ‎ →‎Tutorial for using Thin Spheres in DOCK 3.7
• 22:1622:16, 6 January 2017 diff hist +42‎ Using thin spheres in DOCK3.7 ‎ →‎Tutorial for using Thin Spheres in DOCK 3.7
• 22:1522:15, 6 January 2017 diff hist +488‎ Using thin spheres in DOCK3.7 ‎No edit summary

5 January 2017

• 23:4623:46, 5 January 2017 diff hist −3‎ DOCK 3.7 with GIST tutorials ‎No edit summary
• 23:4323:43, 5 January 2017 diff hist +256‎ N DOCK 3.7 with GIST tutorials ‎ Created page with " To docking with GIST, you must generate gist grids using molecular dynamics to generate a trajectory and this post process it with cpptraj. * Tutorial on running Molecula..."
• 23:4023:40, 5 January 2017 diff hist +35‎ DOCK 3.7 ‎No edit summary

14 December 2016

• 21:1921:19, 14 December 2016 diff hist 0‎ Using thin spheres in DOCK3.7 ‎No edit summary
• 00:5600:56, 14 December 2016 diff hist +54‎ Useful chimera commands ‎No edit summary
• 00:5400:54, 14 December 2016 diff hist −3‎ Using thin spheres in DOCK3.7 ‎No edit summary
• 00:5300:53, 14 December 2016 diff hist −4‎ Using thin spheres in DOCK3.7 ‎No edit summary

7 December 2016

• 01:5901:59, 7 December 2016 diff hist +20‎ Calculate volume of the binding site and molecules ‎No edit summary
• 01:5801:58, 7 December 2016 diff hist +1,474‎ Calculate volume of the binding site and molecules ‎No edit summary

4 December 2016

• 22:3122:31, 4 December 2016 diff hist +166‎ Calculate volume of the binding site and molecules ‎No edit summary
• 22:2622:26, 4 December 2016 diff hist +681‎ Calculate volume of the binding site and molecules ‎ →‎Calculating the volume of a binding site.
• 22:1722:17, 4 December 2016 diff hist −1‎ Calculate volume of the binding site and molecules ‎ →‎how the volume calculation works.
• 22:0522:05, 4 December 2016 diff hist +51‎ Calculate volume of the binding site and molecules ‎ →‎Calculating the volume of a small molecule.
• 22:0222:02, 4 December 2016 diff hist +66‎ Calculate volume of the binding site and molecules ‎No edit summary
• 22:0122:01, 4 December 2016 diff hist +298‎ Calculate volume of the binding site and molecules ‎No edit summary
• 21:5721:57, 4 December 2016 diff hist +377‎ Calculate volume of the binding site and molecules ‎No edit summary
• 21:5021:50, 4 December 2016 diff hist +8‎ Calculate volume of the binding site and molecules ‎No edit summary
• 21:4921:49, 4 December 2016 diff hist +1,542‎ Calculate volume of the binding site and molecules ‎ →‎Calculating the volume of a small molecule.
• 21:4221:42, 4 December 2016 diff hist 0‎ Calculate volume of the binding site and molecules ‎No edit summary
• 21:4221:42, 4 December 2016 diff hist +55‎ Calculate volume of the binding site and molecules ‎No edit summary
• 21:3921:39, 4 December 2016 diff hist +18‎ Calculate volume of the binding site and molecules ‎No edit summary
• 21:3821:38, 4 December 2016 diff hist +1,094‎ N Calculate volume of the binding site and molecules ‎ Created page with " Written by Trent Balius, Dec. 2016. ==The the volume calculation works.== Lay a grid over the spheres. Count the number or points contained in the spheres (Ns). Count the ..."
• 21:3321:33, 4 December 2016 diff hist +84‎ N Other Useful Stuff ‎ Created page with " Useful chimera commands calculate volume of the binding site and molecules"
• 21:3121:31, 4 December 2016 diff hist 0‎ DOCK 3.7 ‎No edit summary
• 21:3121:31, 4 December 2016 diff hist +25‎ DOCK 3.7 ‎No edit summary

2 December 2016

• 16:5216:52, 2 December 2016 diff hist +333‎ N Useful chimera commands ‎ Created page with " ==Command line== You might like to make a small molecules (eg. HEM) part of the surface of the protein instead of separate: surfcat one #1:1-290 surf one probeRadius 1...."

18 November 2016

• 20:2120:21, 18 November 2016 diff hist −6‎ ZINC15:examples:public ‎No edit summary

3 November 2016

• 19:0519:05, 3 November 2016 diff hist +225‎ Using thin spheres in DOCK3.7 ‎No edit summary
• 18:5118:51, 3 November 2016 diff hist +32‎ Using thin spheres in DOCK3.7 ‎No edit summary
• 18:4918:49, 3 November 2016 diff hist −23‎ Using thin spheres in DOCK3.7 ‎No edit summary
• 18:4118:41, 3 November 2016 diff hist +77‎ Using thin spheres in DOCK3.7 ‎No edit summary
• 18:2518:25, 3 November 2016 diff hist +32‎ Using thin spheres in DOCK3.7 ‎No edit summary
• 18:2018:20, 3 November 2016 diff hist +12‎ Using thin spheres in DOCK3.7 ‎No edit summary
• 18:1718:17, 3 November 2016 diff hist +547‎ Using thin spheres in DOCK3.7 ‎No edit summary
• 17:2017:20, 3 November 2016 diff hist +98‎ Using thin spheres in DOCK3.7 ‎No edit summary
• 16:0716:07, 3 November 2016 diff hist +41‎ Using thin spheres in DOCK3.7 ‎No edit summary
• 15:4615:46, 3 November 2016 diff hist +303‎ Using thin spheres in DOCK3.7 ‎No edit summary
• 00:1000:10, 3 November 2016 diff hist +119‎ Using thin spheres in DOCK3.7 ‎No edit summary

2 November 2016

• 23:4223:42, 2 November 2016 diff hist −4‎ Using thin spheres in DOCK3.7 ‎No edit summary
• 22:2122:21, 2 November 2016 diff hist +991‎ N Using thin spheres in DOCK3.7 ‎ Created page with "1) Run blastermaster.py. this will gerenate two directorys: working and dockfiles 2) make a new directory called mk_thin_spheres: mkdir mk_thin_spheres cd mk_thin_sph..."
• 22:2122:21, 2 November 2016 diff hist −2‎ DOCK 3.7 tutorial (Anat) ‎ →‎Using modified(existing) delphi spheres:
• 22:2022:20, 2 November 2016 diff hist +36‎ DOCK 3.7 tutorial (Anat) ‎No edit summary

19 September 2016

• 18:1818:18, 19 September 2016 diff hist +520‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎Modify matching spheres
• 18:0518:05, 19 September 2016 diff hist −2‎ DOCK 3.7 tart ‎No edit summary
• 18:0518:05, 19 September 2016 diff hist +137‎ DOCK 3.7 tart ‎No edit summary