BSD Portsbiology/coordgenlibs 1.4.2nb12 NetBSD
2D coordinate generation for molecules
- System
- NetBSD
- Repository
- pkgsrc
- Maintainer
- [email protected]
- Last update
- Commit
d83d7cec2c- License
- modified-bsd
- Categories
- biology
- Package size
- 203.2 KiB, 681.4 KiB installed
Description
This is Schroedinger, Inc's 2D coordinate generation. It was formerly proprietary code, but is now released under the BSD license.
The emphasis of these algorithms are on quality of 2D coordinates rather than speed of generation. The algorithm distinguishes itself from many others by doing well with both macrocycles and metal complexes. It also does extremely well on typical drug-like small molecules, and has been validated on millions of compounds.
In the other systems
| System | Port | Version |
|---|---|---|
| NetBSD | biology/coordgenlibs | 1.4.2nb12 |
| FreeBSD | science/coordgenlibs | 3.0.2 |
| DragonFly | science/coordgenlibs | 3.0.2 |
| HardenedBSD | science/coordgenlibs | 3.0.2 |
| GhostBSD | science/coordgenlibs | 3.0.2 |
Install
Binary package:
pkgin install coordgenlibsFrom pkgsrc:
cd /usr/pkgsrc/biology/coordgenlibs && make install cleanPackages
The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.
| Repository | Version |
|---|---|
| NetBSD 10.1 x86_64 | 1.4.2nb12 |
| NetBSD 10.1 aarch64 | 1.4.2nb11 |
| SmartOS / illumos x86_64 | 1.4.2nb12 |
| macOS 15 arm64 | 1.4.2nb12 |