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cheminformatics.yaml
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---
install_repository_dependencies: true
install_resolver_dependencies: true
install_tool_dependencies: false
tools:
- name: gmx_npt
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: md_converter
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: gmx_setup
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: gmx_em
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: gmx_solvate
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: gmx_md
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: gmx_nvt
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: packmol
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: mdanalysis_angle
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: mdanalysis_rdf
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: mdanalysis_dihedral
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: mdanalysis_distance
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: bio3d_rmsf
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: bio3d_rmsd
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: bio3d_pca
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: bio3d_pca_visualize
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: bio3d_dccm
owner: chemteam
tool_panel_section_label: ChemicalToolBox
- name: openbabel_remsmall
owner: bgruening
tool_panel_section_label: ChemicalToolBox
- name: openbabel_obgrep
owner: bgruening
tool_panel_section_label: ChemicalToolBox
- name: openbabel_change_title
owner: bgruening
tool_panel_section_label: ChemicalToolBox
- name: openbabel_genprop
owner: bgruening
tool_panel_section_label: ChemicalToolBox
- name: openbabel_remions
owner: bgruening
tool_panel_section_label: ChemicalToolBox
- name: openbabel_multi_obgrep
owner: bgruening
tool_panel_section_label: ChemicalToolBox
- name: openbabel_svg_depiction
owner: bgruening
tool_panel_section_label: ChemicalToolBox
- name: openbabel_spectrophore_search
owner: bgruening
tool_panel_section_label: ChemicalToolBox
- name: openbabel_remove_protonation_state
owner: bgruening
tool_panel_section_label: ChemicalToolBox
- name: openbabel_compound_convert
owner: bgruening
tool_panel_section_label: ChemicalToolBox
- name: openbabel_subsearch
owner: bgruening
tool_panel_section_label: ChemicalToolBox
- name: openbabel_filter
owner: bgruening
tool_panel_section_label: ChemicalToolBox
- name: openbabel_addh
owner: bgruening
tool_panel_section_label: ChemicalToolBox
- name: openbabel_remduplicates
owner: bgruening
tool_panel_section_label: ChemicalToolBox