andrewsb8 DROP issues - Githubissues

andrewsb8 / DROP

Dihedral Rotation Of Proteins

GNU General Public License v3.0

1 stars 0 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

Formatting, Remove Compiler Warnings, and Housekeeping

#27 andrewsb8 closed 4 days ago
0
Redux steric scan

#26 andrewsb8 closed 6 days ago
0
Add ```vdwScan```

#25 andrewsb8 closed 6 days ago
0
Generalize rotations

#24 andrewsb8 closed 6 days ago
0
Seg fault occurs if dihedral is not identified in ```stericScan``` or ```vdwScan```

#23 andrewsb8 opened 1 month ago
0
rm archive

#22 andrewsb8 closed 2 months ago
0
Measure dihedral list

#21 andrewsb8 closed 2 months ago
0
Seg fault occurs when there are no CONECT records

#20 andrewsb8 closed 5 days ago
1
```#include``` certain header files leads to conflicting type errors

#19 andrewsb8 opened 3 months ago
0
File handling

#18 andrewsb8 closed 3 months ago
0
Remove covalent bond matrix calculation for certain modules, add dihedral definitions for all amino acids

#17 andrewsb8 closed 4 months ago
0
Need to add errors or warnings in modules related to dihedral rotation for special case amino acids (i.e. aromatics, proline, etc))

#16 andrewsb8 opened 4 months ago
0
Identify dihedrals from atom information instead of bond information and calculate number of expected dihedrals

#15 andrewsb8 opened 4 months ago
1
Add ```setDihedralList```

#14 andrewsb8 closed 4 months ago
0
Rotating side chains of arginine seems to remove bonds

#13 andrewsb8 opened 4 months ago
0
```./drop -c``` leads to segfault

#12 andrewsb8 closed 4 months ago
0
Measure dihedrals

#11 andrewsb8 closed 4 months ago
0
```-f``` needs to be the first option due to how ```argp``` was implemented

#10 andrewsb8 opened 5 months ago
0
Argp memory issues (#2)

#9 andrewsb8 closed 7 months ago
0
Add residue struct and complete chi angle rotations

#8 andrewsb8 closed 8 months ago
0
Some error in large chi angle rotations between log output and VMD calculations

#7 andrewsb8 opened 8 months ago
0
Large pdb files lead to seg fault

#6 andrewsb8 opened 8 months ago
4
Set dihedral debug

#5 andrewsb8 closed 8 months ago
0
Print pdb

#4 andrewsb8 closed 8 months ago
0
Count clashes

#3 andrewsb8 closed 8 months ago
0
command line inputs are not working correctly in ```setDihedral```

#2 andrewsb8 closed 7 months ago
3
Create LICENSE

#1 andrewsb8 closed 2 years ago
0