Ecosyste.ms: Issues

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GitHub / BartBruininks/mdvwhole issues and pull requests

#44 - Scaling Artifact for Trajectory whole

Issue - State: open - Opened by scichemcode 7 months ago - 2 comments

#43 - Support mesh voxelization

Issue - State: open - Opened by BartBruininks about 1 year ago - 1 comment
Labels: enhancement

#42 - Triclinic/Cubic liftable molecule ends up broken

Issue - State: open - Opened by BartBruininks about 1 year ago - 8 comments
Labels: bug

#41 - Problem with hexamer

Issue - State: closed - Opened by mmidhun97 over 1 year ago - 2 comments

#39 - associative segmentation does not guarantee molecules to be whole

Issue - State: closed - Opened by BartBruininks about 2 years ago - 2 comments
Labels: bug

#38 - Implement mdvseg leaflet segmentation as segmenter

Issue - State: open - Opened by BartBruininks about 2 years ago
Labels: enhancement

#36 - How can I write cluster.npy?

Issue - State: closed - Opened by B3tty-x about 2 years ago - 8 comments

#35 - MDVWhole whole.get_voxel misbehaving

Issue - State: open - Opened by BartBruininks over 2 years ago - 1 comment
Labels: bug

#33 - mol_whole order fixed

Pull Request - State: closed - Opened by BartBruininks over 2 years ago

#32 - changes mol whole com to cog so it works for virtual beads

Pull Request - State: closed - Opened by BartBruininks over 2 years ago

#31 - fixes arg parsing for associative so it does not require False

Pull Request - State: closed - Opened by BartBruininks over 2 years ago

#30 - Displace content of containers with the hull

Issue - State: closed - Opened by BartBruininks over 2 years ago - 1 comment
Labels: enhancement

#29 - Mol whole (performance)

Issue - State: open - Opened by BartBruininks over 2 years ago
Labels: enhancement

#28 - adds a proper flag for associative whole

Pull Request - State: closed - Opened by BartBruininks over 2 years ago

#27 - rollback mol_whole optmization, due to unwanted artifacts

Pull Request - State: closed - Opened by BartBruininks over 2 years ago - 1 comment

#26 - allows for whole clusters

Pull Request - State: closed - Opened by BartBruininks over 2 years ago

#25 - Associative Whole (performance)

Issue - State: open - Opened by BartBruininks over 2 years ago - 3 comments
Labels: enhancement

#24 - Centering

Issue - State: open - Opened by BartBruininks over 2 years ago
Labels: enhancement

#23 - Make whole mol voxel

Pull Request - State: closed - Opened by BartBruininks over 2 years ago

#22 - removes plotting (dependencies) for testing

Pull Request - State: closed - Opened by BartBruininks over 2 years ago

#21 - 0.0.5 has problems with particles at the boundaries.

Issue - State: closed - Opened by BartBruininks over 2 years ago - 7 comments
Labels: bug

#20 - bump to 0.0.5

Pull Request - State: closed - Opened by BartBruininks over 2 years ago

#19 - add mol pbc make whole MDA based (8x slower)

Pull Request - State: closed - Opened by BartBruininks over 2 years ago

#18 - Pbc

Pull Request - State: closed - Opened by BartBruininks over 2 years ago

#17 - tries to reduce dependecies more

Pull Request - State: closed - Opened by BartBruininks over 2 years ago

#16 - tries to reduce dependecies

Pull Request - State: closed - Opened by BartBruininks over 2 years ago

#15 - Pack multiple segments as close together as possible

Issue - State: open - Opened by BartBruininks over 2 years ago
Labels: enhancement

#14 - Pack multiple segments as close together as possible

Issue - State: closed - Opened by BartBruininks over 2 years ago

#13 - Multi selection

Pull Request - State: closed - Opened by BartBruininks over 2 years ago

#12 - Support multiple selections per frame

Issue - State: closed - Opened by BartBruininks over 2 years ago - 1 comment
Labels: enhancement

#11 - Use mdvoxelsegmentation to make individual leaflets whole.

Issue - State: closed - Opened by BartBruininks over 2 years ago - 1 comment
Labels: enhancement

#10 - add a fixed requirements with tested and working dependencies

Pull Request - State: closed - Opened by BartBruininks almost 3 years ago

#9 - removes unwanted files from repo

Pull Request - State: closed - Opened by BartBruininks almost 3 years ago

#8 - PBC for non 90 degree angles malfunction

Issue - State: closed - Opened by BartBruininks almost 3 years ago - 1 comment
Labels: bug

#7 - example figure

Issue - State: closed - Opened by BartBruininks almost 3 years ago

#6 - first pip version

Pull Request - State: closed - Opened by BartBruininks almost 3 years ago

#5 - Adds dependencies and pip install

Pull Request - State: closed - Opened by BartBruininks almost 3 years ago

#4 - removes gro file

Pull Request - State: closed - Opened by BartBruininks almost 3 years ago

#3 - cleans up the file

Pull Request - State: closed - Opened by BartBruininks almost 3 years ago

#2 - adds help

Pull Request - State: closed - Opened by BartBruininks almost 3 years ago

#1 - first push

Pull Request - State: closed - Opened by BartBruininks almost 3 years ago