User contributions for Btingle

19:0519:05, 11 July 2023 diff hist +24‎ All About DB2 Files ‎No edit summary current

00:3300:33, 14 June 2023 diff hist +2‎ All About DB2 Files ‎ →‎What is the deal with sets and confs?
00:3200:32, 14 June 2023 diff hist +19‎ All About DB2 Files ‎ →‎The nittier grittier
00:3100:31, 14 June 2023 diff hist +95‎ All About DB2 Files ‎ →‎What is the deal with sets and confs?
00:2800:28, 14 June 2023 diff hist +19‎ All About DB2 Files ‎ →‎The nitty gritty
00:2600:26, 14 June 2023 diff hist +118‎ All About DB2 Files ‎ →‎What is the deal with sets and confs?
00:2500:25, 14 June 2023 diff hist +171‎ All About DB2 Files ‎No edit summary
00:2000:20, 14 June 2023 diff hist −91‎ All About DB2 Files ‎No edit summary Tag: Manual revert
00:1900:19, 14 June 2023 diff hist +91‎ All About DB2 Files ‎No edit summary
00:1500:15, 14 June 2023 diff hist +2‎ All About DB2 Files ‎ →‎What is the deal with sets and confs?
00:1400:14, 14 June 2023 diff hist +2‎ All About DB2 Files ‎ →‎The nitty gritty
00:1400:14, 14 June 2023 diff hist +2‎ All About DB2 Files ‎ →‎The brass tacks
00:1300:13, 14 June 2023 diff hist +6‎ All About DB2 Files ‎ →‎The nitty gritty
00:1300:13, 14 June 2023 diff hist +4,729‎ N All About DB2 Files ‎ Created page with "== The brass tacks == DB2 files encode & compress 3D molecule rotomers, sometimes referred to as conformations. DB2 files do not store the dihedral angles of rotomers, but instead the per-atom coordinates resulting from those angles Atoms of different rotomers whose coordinates overlap are merged together in db2 files (how this is done will be detailed more later), thus allowing DOCK to avoid double-calculating per-atom energies == The nitty gritty == DB2 is a text fo..."

19:2719:27, 13 June 2023 diff hist +114‎ Smallworld Databases ‎ →‎Smallworld slides/presentations
19:2419:24, 13 June 2023 diff hist +6‎ Smallworld Databases ‎ →‎Smallworld Databases
19:2319:23, 13 June 2023 diff hist +157‎ Smallworld Databases ‎No edit summary
19:2019:20, 13 June 2023 diff hist +171‎ Smallworld Databases ‎No edit summary

22:2122:21, 31 May 2023 diff hist +91‎ Installing The 3D Pipeline ZINC22 ‎No edit summary
22:2122:21, 31 May 2023 diff hist +2,380‎ N Installing The 3D Pipeline ZINC22 ‎ Created page with "Installation of the 3D pipeline is somewhat tricky- the environment is very particular about which versions of which software should be used. It is thus easiest to copy the exact software packages we use from our servers- this should work provided they are installed in a 64-bit linux architecture, though depending on the distribution certain shared libraries may be missing. == Setting up the installation root == First find a suitable directory which will serve as the r..."