Main Panel¶
Setup peak lists¶
1H-1H NOESY spectrum: Documentation missing
15N HSQC spectrum: Documentation missing
15N HSQC TOCSY spectrum: Documentation missing
15N HSQC NOESY spectrum: Documentation missing
Setup resonances & peaks: Documentation missing
Show Peaks: Documentation missing
Show resonances: Documentation missing
Calculate distance constraints¶
| Table 1 | |
| Spectrometer frequency | Documentation missing (Editable) |
| Max iterations | Documentation missing (Editable) |
| Mixing time (ms) | Documentation missing (Editable) |
| Correl. time (ns) | Documentation missing (Editable) |
| Leak rate | Documentation missing (Editable) |
| Max intensity | Documentation missing (Editable) |
Benchmark structure: Documentation missing
ADC atom types: Documentation missing
Calculate distances: Documentation missing
Show distance constraints: Documentation missing
Show anti-distance constraints: Documentation missing
Proton cloud molecular dynamics¶
| Table 2 | |
| Step | Documentation missing |
| Initial temp. | Documentation missing (Editable) |
| Final temp. | Documentation missing (Editable) |
| Cooling steps | Documentation missing (Editable) |
| MD steps | Documentation missing (Editable) |
| MD tau | Documentation missing (Editable) |
| Rep. scale | Documentation missing (Editable) |
Move earlier: Documentation missing
Move later: Documentation missing
Add step: Documentation missing
Remove step: Documentation missing
100: Documentation missing
cloud_: Documentation missing
Start molecular dynamics: Documentation missing
Show dynamics progress: Documentation missing