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cheminformatics.yaml.lock
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install_repository_dependencies: true
install_resolver_dependencies: true
install_tool_dependencies: false
tools:
- name: gmx_npt
owner: chemteam
revisions:
- 93e39b0321c7
tool_panel_section_label: ChemicalToolBox
- name: md_converter
owner: chemteam
revisions:
- acce5039ece7
tool_panel_section_label: ChemicalToolBox
- name: gmx_setup
owner: chemteam
revisions:
- acc9922f3eab
tool_panel_section_label: ChemicalToolBox
- name: gmx_em
owner: chemteam
revisions:
- 6d9a9ab96195
tool_panel_section_label: ChemicalToolBox
- name: gmx_solvate
owner: chemteam
revisions:
- 77aaf9a68166
tool_panel_section_label: ChemicalToolBox
- name: gmx_md
owner: chemteam
revisions:
- d97433b7d482
tool_panel_section_label: ChemicalToolBox
- name: gmx_nvt
owner: chemteam
revisions:
- f425c1453662
tool_panel_section_label: ChemicalToolBox
- name: packmol
owner: chemteam
revisions:
- 0b8a0ce446f5
tool_panel_section_label: ChemicalToolBox
- name: mdanalysis_angle
owner: chemteam
revisions:
- fc7293c6cb6a
tool_panel_section_label: ChemicalToolBox
- name: mdanalysis_rdf
owner: chemteam
revisions:
- 9bb57bd1fdc8
tool_panel_section_label: ChemicalToolBox
- name: mdanalysis_dihedral
owner: chemteam
revisions:
- f95d4348ed7c
tool_panel_section_label: ChemicalToolBox
- name: mdanalysis_distance
owner: chemteam
revisions:
- c33b972fe040
tool_panel_section_label: ChemicalToolBox
- name: bio3d_rmsf
owner: chemteam
revisions:
- e838317708a6
tool_panel_section_label: ChemicalToolBox
- name: bio3d_rmsd
owner: chemteam
revisions:
- 75fd897bd85d
tool_panel_section_label: ChemicalToolBox
- name: bio3d_pca
owner: chemteam
revisions:
- f56fb2762abb
tool_panel_section_label: ChemicalToolBox
- name: bio3d_pca_visualize
owner: chemteam
revisions:
- 65bfd1b90b96
tool_panel_section_label: ChemicalToolBox
- name: openbabel_remsmall
owner: bgruening
revisions:
- 11952f619e90
tool_panel_section_label: ChemicalToolBox
- name: openbabel_obgrep
owner: bgruening
revisions:
- 50dc8ca09a50
tool_panel_section_label: ChemicalToolBox
- name: openbabel_change_title
owner: bgruening
revisions:
- 3bf4dcc945f9
tool_panel_section_label: ChemicalToolBox
- name: openbabel_genprop
owner: bgruening
revisions:
- ebe0654a8b85
tool_panel_section_label: ChemicalToolBox
- name: openbabel_remions
owner: bgruening
revisions:
- abceed0106cd
tool_panel_section_label: ChemicalToolBox
- name: openbabel_multi_obgrep
owner: bgruening
revisions:
- 09640954740c
tool_panel_section_label: ChemicalToolBox
- name: openbabel_svg_depiction
owner: bgruening
revisions:
- ed50b83b02e9
tool_panel_section_label: ChemicalToolBox
- name: openbabel_spectrophore_search
owner: bgruening
revisions:
- 0b9ee280c439
tool_panel_section_label: ChemicalToolBox
- name: openbabel_remove_protonation_state
owner: bgruening
revisions:
- 44488fa95d1d
tool_panel_section_label: ChemicalToolBox
- name: openbabel_compound_convert
owner: bgruening
revisions:
- 37f6668ce540
tool_panel_section_label: ChemicalToolBox
- name: openbabel_subsearch
owner: bgruening
revisions:
- 9a83f24376b0
tool_panel_section_label: ChemicalToolBox
- name: openbabel_filter
owner: bgruening
revisions:
- 69e02cf88856
tool_panel_section_label: ChemicalToolBox
- name: openbabel_addh
owner: bgruening
revisions:
- bfb8555f0003
tool_panel_section_label: ChemicalToolBox
- name: openbabel_remduplicates
owner: bgruening
revisions:
- d751e92477ea
tool_panel_section_label: ChemicalToolBox