victor-gil-sepulveda pyRMSD issues

victor-gil-sepulveda / pyRMSD

pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of structures. It is specially tuned to do fast collective RMSD calculations, as pairwise RMSD matrices.

Other

25 stars 14 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

New PyPI release?

#18 benmwebb opened 3 years ago
1
Update README.md

#17 ekiefl opened 4 years ago
0
With path to cuda correctly specified in build_conf/default.conf I get "sh: 1: nvcc: not found"

#16 pgoetz opened 4 years ago
1
Fix off-by-one error

#15 benmwebb opened 4 years ago
0
Add Python 3 support

#14 benmwebb opened 4 years ago
3
Feature request : Getting the symmetry group that minimizes RMSD

#13 shruthivis opened 6 years ago
0
python3?

#12 npolizzi opened 6 years ago
2
Retrieve the rotation_matrix and translation vector

#11 daniel-adriano opened 7 years ago
2
Fix headings in README.md

#10 mpharrigan opened 7 years ago
0
GPL License

#9 RasmusFonseca opened 7 years ago
1
CondensedMatrix problem

#8 victor-gil-sepulveda opened 10 years ago
0
Fails to compile with clang under macos 10.8 because clang does not support OpenMP

#7 romansloutsky opened 10 years ago
0
Adding pickle options to CondensedMatrix

#6 victor-gil-sepulveda opened 11 years ago
0
build.py --cuda when python2.x is not installed in the default places

#5 TruHuynh opened 11 years ago
1
parallel installation for multiple version of CUDA/python?

#4 TruHuynh opened 11 years ago
0
Test Michal Jamroz' suggestions

#3 victor-gil-sepulveda opened 11 years ago
0
implement matrixOneVsFollowing* to improve performance

#2 victor-gil-sepulveda opened 11 years ago
0
setup.py is outdated

#1 victor-gil-sepulveda closed 10 years ago
0