r-cran-crystract 1.0.1-1
Package Information
| Description | Crystallographic Information File (CIF) Data Processing Tools Provides a suite of functions to parse Crystallographic Information Files (.cif), extracting essential data such as chemical formulas, unit cell parameters, atomic coordinates, and symmetry operations. It also includes tools to calculate interatomic distances, identify bonded pairs using various algorithms (minimum_distance, brunner_nn_reciprocal, econ_nn, crystal_nn), determine nearest neighbor counts, and calculate bond angles. The package is designed to facilitate the preparation of crystallographic data for further analysis, including machine learning applications in materials science. |
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| Maintainer | Debian R Packages Maintainers <r-pkg-team@alioth-lists.debian.net> |
| Changed By | Andrius Merkys <merkys@debian.org> |
| Sponsor | merkys@debian.org |
| Distribution | unstable |
| Architecture | all |
| VCS | git: https://salsa.debian.org/r-pkg-team/r-cran-crystract.git (browse) |
| Closes | #1140579 |
| Tracker | https://tracker.debian.org/pkg/r-cran-crystract |
| Uploaded | 4 hours ago |
New Package Report
.changes
| Distribution | unstable |
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| Date | Tue, 23 Jun 2026 03:42:58 -0400 |
| Source | r-cran-crystract |
| Version | 1.0.1-1 |
| Changed-By | Andrius Merkys |
| Architecture | source all |
Changelog
r-cran-crystract (1.0.1-1) unstable; urgency=medium . * Initial release (closes: #1140579)
.dsc
| Component | main |
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| Package-List | r-cran-crystract deb gnu-r optional arch=all |
| Section | gnu-r |
| Priority | optional |
debian/copyright
Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ Upstream-Name: crystract Upstream-Contact: Don Ngo <dngo@carnegiescience.edu> Source: https://cran.r-project.org/package=crystract Files: * Copyright: 2026, Don Ngo, Anirudh Prabhu, Julia-Maria Hubner License: GPL-3+ Files: debian/* Copyright: 2026, Andrius Merkys <merkys@debian.org> License: GPL-3+ License: GPL-3+ This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version. . This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. . On Debian systems you can find the full text of the GNU General Public License version 3 at /usr/share/common-licenses/GPL-3.