Skip to content

Commit

Permalink
Update README.md
Browse files Browse the repository at this point in the history
  • Loading branch information
sarisabban authored Jun 24, 2023
1 parent 255aaff commit cc31ffd
Showing 1 changed file with 8 additions and 8 deletions.
16 changes: 8 additions & 8 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -98,11 +98,11 @@ Capital letter unicodes will build L-amino acids, small letter unicodes will bui
## For collaboration:
If anyone is interested in collaborating, these are functions that needs to be added:

1. **Easy**: Structure alignment (RMSD between two poses)
2. **Easy**: Sequence alignment (BLAST & MSA)
3. **Moderate**: Calculating Gasteiger partial charges for each atom
4. **Moderate**: Find all H-bonds
5. **Moderate**: Calculate DSSP for each amino acid
6. **Hard**: SASA calculation for each amino acid
7. **Hard**: Pocket and void calculation
8. **Hard**: AMBER energy function or general input and structure Minimisation
1. **Easy**: Structure alignment (RMSD between two poses).
2. **Easy**: Sequence alignment (BLAST & MSA).
3. **Moderate**: Calculating Gasteiger partial charges for each atom.
4. **Moderate**: Find all H-bonds.
5. **Moderate**: Calculate DSSP for each amino acid.
6. **Hard**: SASA calculation for each amino acid.
7. **Hard**: Pocket and void calculation.
8. **Hard**: AMBER energy function or general input and structure Minimisation.

0 comments on commit cc31ffd

Please sign in to comment.