Timeline for Generating electron density from protein coordinate (PDB)
Current License: CC BY-SA 4.0
12 events
| when toggle format | what | by | license | comment | |
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| Aug 13, 2022 at 13:31 | comment | added | pippo1980 | phenix-online.org/pipermail/phenixbb/2020-March/024559.html --> Generating electron density from protein coordinate (PDB) | |
| Jun 15, 2020 at 18:26 | vote | accept | Simon | ||
| Mar 20, 2020 at 23:21 | comment | added | Simon | I am using this to compare with X-ray crystallography experiment. Indeed with an independent atom approach, the partial charge cannot be deduced unless atomistic forcefield is used, like AMBER and CHARMM. | |
| Mar 19, 2020 at 17:12 | comment | added | Karsten♦ | If the electron density is derived from the coordinates only, using the independent atom approach, then the coordinates and the density carry equivalent information. It would be interesting to know whether you are comparing the calculated electron density to experimental data (such as derived from cryo-EM), are using this for teaching, or for some other purpose. Just to be clear, you could not use it for something like determination of partial charges or such. | |
| Mar 19, 2020 at 0:49 | history | edited | Simon | CC BY-SA 4.0 |
Elaborate more on the expectations
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| S Mar 18, 2020 at 16:11 | history | suggested | jezzo |
removed incorrect tags, added computational-chemistry
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| Mar 18, 2020 at 14:50 | review | Suggested edits | |||
| S Mar 18, 2020 at 16:11 | |||||
| Mar 18, 2020 at 12:46 | history | became hot network question | |||
| Mar 18, 2020 at 3:25 | answer | added | Karsten♦ | timeline score: 6 | |
| Mar 18, 2020 at 2:28 | answer | added | jezzo | timeline score: 4 | |
| Mar 18, 2020 at 1:40 | review | First posts | |||
| Mar 18, 2020 at 1:58 | |||||
| Mar 18, 2020 at 1:39 | history | asked | Simon | CC BY-SA 4.0 |