Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / alanwilter/acpype issues and pull requests

#31 - New functions

Pull Request - State: closed - Opened by lkagami over 3 years ago

#30 - Update acpype_gmx_tutorial.md

Pull Request - State: closed - Opened by g-vykhodtsev over 3 years ago - 1 comment

#29 - add new functions

Pull Request - State: closed - Opened by lkagami over 3 years ago

#28 - Update README.md

Pull Request - State: closed - Opened by lkagami over 3 years ago

#27 - Delete acpype.sh

Pull Request - State: closed - Opened by lkagami over 3 years ago

#26 - Set atom/bond type judge option

Issue - State: open - Opened by mquevill almost 4 years ago - 1 comment

#25 - Adding atoms on top of existing atoms

Issue - State: closed - Opened by mquevill almost 4 years ago - 3 comments

#24 - Some errors in the resulting topologies after conversion to gmx

Issue - State: open - Opened by kaplajon almost 4 years ago - 5 comments

#23 - Separation of non-water solvent in the topology file.

Issue - State: closed - Opened by riquri almost 4 years ago - 3 comments

#22 - Atomtype IP not found

Issue - State: closed - Opened by dvdvbrn almost 4 years ago - 2 comments

#21 - missing dihedral param in CNS params for cyclopropyl

Issue - State: closed - Opened by mieczyslaw over 4 years ago - 2 comments

#20 - Fixing citation encoding. More pythonic way of printing.

Pull Request - State: closed - Opened by ijpulidos over 4 years ago

#19 - Can't encode character in citation

Issue - State: closed - Opened by ijpulidos over 4 years ago - 1 comment

#18 - Fixed #17, Black and Flake8 applied

Pull Request - State: closed - Opened by alanwilter over 4 years ago

#17 - Tutorial needs update

Issue - State: closed - Opened by germanbarcenas over 4 years ago - 1 comment

#16 - Acpype lib

Pull Request - State: closed - Opened by alanwilter over 4 years ago

#15 - Problem generating prm and itp

Issue - State: closed - Opened by georopon almost 5 years ago - 1 comment

#14 - Not able to generate charmm output

Issue - State: closed - Opened by bhargavchava97 almost 5 years ago - 4 comments

#13 - Update nonuniform 1-4 charge scaling to use qConv

Pull Request - State: closed - Opened by austenb28 almost 5 years ago

#12 - Value of qConv in acpype.py is too precise compared with that in AmberTools

Issue - State: closed - Opened by lazaroid almost 5 years ago - 2 comments

#11 - Replace babel command with obabel

Pull Request - State: closed - Opened by simonbray about 5 years ago - 1 comment

#10 - OpenBabel 3 compatibility?

Issue - State: closed - Opened by simonbray about 5 years ago - 6 comments

#9 - Commit tag on new releases

Issue - State: closed - Opened by simonbray over 5 years ago - 4 comments

#8 - Error atom type IP

Issue - State: closed - Opened by amrhamedp almost 6 years ago - 2 comments

#7 - ACPYPE fails with "Substring not found" error

Issue - State: closed - Opened by sukritsingh almost 6 years ago - 4 comments

#6 - Change shebang line for python3

Pull Request - State: closed - Opened by lkagami over 6 years ago

#5 - Update and rename README.txt to README.md

Pull Request - State: closed - Opened by lkagami over 6 years ago

#4 - Description of Topology_14.p7_array_read

Pull Request - State: closed - Opened by austenb28 almost 7 years ago

#3 - Celery beat - Deleted_by_time

Pull Request - State: closed - Opened by lkagami almost 7 years ago

#2 - tooltips no hard code

Pull Request - State: closed - Opened by lkagami almost 7 years ago

#1 - tooltips no hard code

Pull Request - State: closed - Opened by lkagami almost 7 years ago