nixsearch / pkg / pdb2pqr
pdb2pqr
Software for determining titration states, adding missing atoms, and assigning charges/radii to biomolecules
version3.7.1
attributepdb2pqr
rev
systems✓ aarch64-darwin✓ aarch64-linux✓ x86_64-darwin✓ x86_64-linux
aarch64-darwin f45c6f04c2f013f004bf94e284e95d72898d9393 aarch64-linux f45c6f04c2f013f004bf94e284e95d72898d9393 x86_64-darwin 3d46470bb3030020f7e1361f33514854f5bfa86d x86_64-linux f45c6f04c2f013f004bf94e284e95d72898d9393 $ devbox add pdb2pqr@3.7.1
$ nix shell github:NixOS/nixpkgs/f45c6f04c2f013f004bf94e284e95d72898d9393#pdb2pqr # aarch64-darwin
$ nix shell github:NixOS/nixpkgs/f45c6f04c2f013f004bf94e284e95d72898d9393#pdb2pqr # aarch64-linux
$ nix shell github:NixOS/nixpkgs/3d46470bb3030020f7e1361f33514854f5bfa86d#pdb2pqr # x86_64-darwin
$ nix shell github:NixOS/nixpkgs/f45c6f04c2f013f004bf94e284e95d72898d9393#pdb2pqr # x86_64-linux
Releases
newest first, as/v2/pkg orders them
| Version | arm mac | arm linux | x86 mac | x86 linux | Attribute | Commit | Date | Outputs |
|---|---|---|---|---|---|---|---|---|
| 3.7.1resolved | ✓ | ✓ | ✓ | ✓ | pdb2pqr |
varies | out, dist | |
| 3.6.2 | ✓ | ✓ | ✓ | ✓ | pdb2pqr |
50165c4f7e | out, dist | |
| 3.6.1 | ✓ | ✓ | ✓ | ✓ | pdb2pqr |
24fe8bb4f5 | out, dist |
Prereleases are listed but latest never picks one. “varies” means each system last changed at a different nixpkgs commit — the release page lists them.