User contributions for Iamkaant

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
• 21:1921:19, 4 September 2022 diff hist +1,198‎ Membrane Modeling ‎ added the manual for membrane positioning

11 August 2022

• 18:5718:57, 11 August 2022 diff hist +134‎ Synthesia ‎ added retrosynthesis route generation by IBM RXN

3 August 2022

• 21:1121:11, 3 August 2022 diff hist −1‎ m Synthesia ‎No edit summary
• 21:1021:10, 3 August 2022 diff hist +666‎ Synthesia ‎ added retrosynthesis route generation tools
• 20:4920:49, 3 August 2022 diff hist −2‎ m Synthesia ‎No edit summary
• 20:4820:48, 3 August 2022 diff hist +91‎ Synthesia ‎No edit summary
• 20:4620:46, 3 August 2022 diff hist +31‎ m Synthesia ‎No edit summary
• 20:4420:44, 3 August 2022 diff hist +5,443‎ N Synthesia ‎ Created page with "<blockquote>Synthesia is a command-line tool that uses an entire retrosynthetic route as a guide pathway to generate optimized structural analogues of a lead compound without..."

14 June 2022

• 02:5102:51, 14 June 2022 diff hist +944‎ Membrane Modeling ‎ added troubleshooting of MD runs

6 June 2022

• 21:1421:14, 6 June 2022 diff hist +726‎ N Conversion of .rxn files to reaction SMARTS ‎ Created page with "DataWarrior folks have implemented enumeration protocol in their soft. It is published in 10.1021/acs.jcim.1c01041 They store reactions in .rxn format, which is documented in..." current

26 April 2022

• 06:5306:53, 26 April 2022 diff hist +209‎ m Membrane Modeling ‎ changed Pymol script: Hs are not removed from lipids

21 April 2022

• 01:4201:42, 21 April 2022 diff hist +1,593‎ Membrane Modeling ‎ added protocol for MemProtMD
• 01:2701:27, 21 April 2022 diff hist +8,059‎ Membrane Modeling ‎ Added protocol for MD in Schrodinger