# This file created by conda-build 24.7.1
# meta.yaml template originally from:
# /opt/recipe, last modified Fri Dec 13 09:36:17 2024
# ------------------------------------------------

package:
  name: usalign
  version: 2024.07.30
source:
  sha256: 21b510507e9258c1a2e03c6d32680282981a54e27778a3f3f739861ca7c7b38a
  url: https://github.com/eunos-1128/usalign/archive/refs/tags/v2024.07.30.tar.gz
build:
  number: '1'
  run_exports:
    - usalign >=2024.7.30
  string: h503566f_1
requirements:
  build:
    - _libgcc_mutex 0.1 conda_forge
    - _openmp_mutex 4.5 2_gnu
    - binutils_impl_linux-64 2.43 h4bf12b8_2
    - binutils_linux-64 2.43 h4852527_2
    - gcc_impl_linux-64 13.3.0 hfea6d02_1
    - gcc_linux-64 13.3.0 hc28eda2_7
    - gxx_impl_linux-64 13.3.0 hdbfa832_1
    - gxx_linux-64 13.3.0 h6834431_7
    - kernel-headers_linux-64 3.10.0 he073ed8_18
    - ld_impl_linux-64 2.43 h712a8e2_2
    - libgcc 14.2.0 h77fa898_1
    - libgcc-devel_linux-64 13.3.0 h84ea5a7_101
    - libgomp 14.2.0 h77fa898_1
    - libsanitizer 13.3.0 heb74ff8_1
    - libstdcxx 14.2.0 hc0a3c3a_1
    - libstdcxx-devel_linux-64 13.3.0 h84ea5a7_101
    - make 4.4.1 hb9d3cd8_2
    - sysroot_linux-64 2.17 h4a8ded7_18
    - tzdata 2024b hc8b5060_0
  host:
    - _libgcc_mutex 0.1 conda_forge
    - _openmp_mutex 4.5 2_gnu
    - libgcc 14.2.0 h77fa898_1
    - libgomp 14.2.0 h77fa898_1
    - libstdcxx 14.2.0 hc0a3c3a_1
  run:
    - libgcc >=13
    - libstdcxx >=13
test:
  commands:
    - USalign -h
about:
  description: "US-align (Universal Structural alignment) is a unified protocol\n\
    to compare 3D structures of different macromolecules (proteins, RNAs and DNAs)\n\
    in different forms (monomers, oligomers and heterocomplexes)\nfor both pairwise\
    \ and multiple structure alignments.\nThe core alogrithm of US-align is extended\
    \ from TM-align and generates optimal structural alignments\nby maximizing TM-score\
    \ of compared strucures through heuristic dynamic programming iterations.\nLarge-scale\
    \ benchmark tests showed that US-align can generate more accurate structural alignments\n\
    with significantly reduced CPU time, compared to the state-of-the-art methods\
    \ developed\nfor specific structural alignment tasks.\nTM-score has values in\
    \ (0,1] with 1 indicating an identical structure match,\nwhere a TM-score \u2265\
    0.5 (or 0.45) means the structures share the same global topology for proteins\
    \ (or RNAs).\n"
  dev_url: https://github.com/pylelab/USalign
  doc_url: https://zhanggroup.org/US-align/help
  home: https://zhanggroup.org/US-align
  license: UNKNOWN
  license_family: OTHER
  license_file: LICENSE
  summary: Universal structure alignment of monomeric, complex proteins and nucleic
    acids
extra:
  additional-platforms:
    - linux-aarch64
    - osx-arm64
  copy_test_source_files: true
  final: true
  recipe-maintainers:
    - eunos-1128
