User contributions for Iamkaant
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31 May 2023
- 21:2721:27, 31 May 2023 diff hist +19 m Membrane Modeling No edit summary
3 May 2023
- 20:3820:38, 3 May 2023 diff hist −116 Global Matching Sphere Optimization No edit summary
2 May 2023
- 00:0200:02, 2 May 2023 diff hist +2 m Global Matching Sphere Optimization No edit summary
- 00:0100:01, 2 May 2023 diff hist +1 Global Matching Sphere Optimization No edit summary
- 00:0100:01, 2 May 2023 diff hist +3 Global Matching Sphere Optimization No edit summary
- 00:0000:00, 2 May 2023 diff hist +539 Global Matching Sphere Optimization No edit summary
1 May 2023
- 23:0123:01, 1 May 2023 diff hist +91 Global Matching Sphere Optimization No edit summary
- 23:0123:01, 1 May 2023 diff hist +35 N File:Combined metrics plot from a GA run.png No edit summary current
- 19:5219:52, 1 May 2023 diff hist +871 Global Matching Sphere Optimization No edit summary
30 April 2023
- 07:0607:06, 30 April 2023 diff hist +291 Global Matching Sphere Optimization No edit summary
- 07:0107:01, 30 April 2023 diff hist +100 Global Matching Sphere Optimization No edit summary
- 06:5906:59, 30 April 2023 diff hist −2 Global Matching Sphere Optimization No edit summary
- 06:5806:58, 30 April 2023 diff hist +1,938 N Global Matching Sphere Optimization Created page with "== Goal == To optimize your matching sphere (MS) setups getting more enrichment with fewer spheres. == Description == The program performs optimization of matching spheres using genetic algorithm. It selects spheres from two sets: * heavy atoms of xtal-lig * spheres prepared by SPHGEN program At each generation, N matching sphere sets are created, containing a maximum of M spheres each. Then retrospective docking is done for each set, and sets are ranked by the enrichme..."
10 January 2023
- 17:5917:59, 10 January 2023 diff hist −5 Membrane Modeling No edit summary Tag: Manual revert
- 17:5917:59, 10 January 2023 diff hist +5 m Membrane Modeling No edit summary
- 17:5817:58, 10 January 2023 diff hist −5 User:Iamkaant No edit summary current Tag: Manual revert
- 17:5817:58, 10 January 2023 diff hist +5 User:Iamkaant No edit summary
31 October 2022
- 22:5822:58, 31 October 2022 diff hist +122 m Membrane Modeling added the note to export $SCHRODINGER variable before running the script
11 October 2022
- 17:4317:43, 11 October 2022 diff hist +30 m Synthesia →How to create this tree? current
4 September 2022
- 21:2021:20, 4 September 2022 diff hist +75 m Membrane Modeling No edit summary