-
I'm sorry if this is obvious, but I have looked around and tried to have a go at it myself, but I am unable to find a way to "auto" generate bonds from a pdb, based on proximity to other atoms etc. Is…
-
A group of either time dependent or time independent data:
```
/connectivity/
```
- bonds
- bond_order ?
- particle_group
see https://h5md.nongnu.org/h5md.html#connectivity-group
```py…
-
Currently Avogadro supports creating and displaying single, double, and triple bonds. It would be nice to extend this to higher bond orders – up to 6/sextuple is known – to permit visualization and pr…
-
Just wanted to start a discussion about potential ways to store bond information in the current AtomsBase object as well as how trajectories could be standardized.
- Bonds could just be added as an…
-
See the FIGURE 1G: number of bonds per molecule - take average bonds for all sites of a given molecule, add their occupancies numbers, and divide by the total number of sites in the system. For NWasp …
-
Additional info: At present they snap back if broken upon but this is disconcerting.
David's comment: this is a consequence of the springs interacting with the rb inertia - grabbing effectively add…
-
https://www.melonsblog.cn/2020/01/reading-45-corporate-bonds.html#more
-
Hi and apologies in advance for this question which has been addressed a few times in the Issues. I have the template matcher telling me my bonds are not lining up:
`No template found for residue 5…
-
### Describe the bug
Here's the results when 'add periodic bonds' hasn't yet been used:
![noPeriodicBonds0001](https://user-images.githubusercontent.com/17075318/122604019-243b4500-d02a-11eb-8698…
-
Hi!
Looking at the code it seems possible to bond any ERC20.
I'm wondering if it's possible to have a `isMinKeeper` check with a bond requirement of multiple coins
e.g. 1 kp3r + 1 gov token fr…