issues
search
pegerto
/
mdakit_sasa
Toolkit to calculate the surface accessible area of a molecular dynamic trajectory
https://mdakit-sasa.readthedocs.io/en/latest/index.html
GNU General Public License v2.0
4
stars
2
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Structure is using segid rather than chainID
#24
pegerto
opened
8 months ago
0
SASA analysis should accept an AtomGroup or Universe
#23
pegerto
opened
8 months ago
0
Issues with verssioner with python 3.12
#22
pegerto
closed
8 months ago
0
Add additional documentation
#21
pegerto
closed
8 months ago
1
Include additional User Guide in the documentation
#20
pegerto
opened
8 months ago
0
Fix typos in docs
#19
IAlibay
closed
8 months ago
2
fix residue area order
#18
pegerto
closed
9 months ago
0
protect agains residue count
#17
pegerto
closed
9 months ago
1
Size error computing specific protein 1YE0
#16
pegerto
opened
9 months ago
1
typo in doccs
#15
pegerto
closed
9 months ago
0
Allow parametrisation of ShrakeRupley
#14
pegerto
opened
9 months ago
0
Zenodo
#13
pegerto
closed
9 months ago
0
intro documentation
#12
pegerto
closed
9 months ago
1
Return total area contributed per residue.
#11
pegerto
closed
9 months ago
1
Add segment information for each atom
#10
pegerto
closed
10 months ago
1
Include segment for sasa calculation
#9
pegerto
closed
10 months ago
0
Fix area calculation
#8
pegerto
closed
10 months ago
1
calculate area to be float
#7
pegerto
closed
10 months ago
1
enable windows support
#6
pegerto
closed
10 months ago
1
tmp disable windows from matrix
#5
pegerto
closed
10 months ago
1
Windows run fail if access violation on the native code of freesasa
#4
pegerto
closed
10 months ago
1
Calculate the accesbile suface area over a trajectory per residue
#3
pegerto
closed
9 months ago
0
Calculate average volume of a molecule and the mean over a trajectory
#2
pegerto
closed
11 months ago
0
Calcuate SASA using free sasa
#1
pegerto
closed
11 months ago
0