{"id":13823123,"url":"https://github.com/tpfto/MoleculeViewer","last_synced_at":"2025-07-08T16:31:05.426Z","repository":{"id":55640356,"uuid":"104575485","full_name":"tpfto/MoleculeViewer","owner":"tpfto","description":"A package for visualizing molecules.","archived":false,"fork":false,"pushed_at":"2019-09-29T13:30:18.000Z","size":3551,"stargazers_count":11,"open_issues_count":4,"forks_count":5,"subscribers_count":3,"default_branch":"master","last_synced_at":"2024-08-05T09:11:32.174Z","etag":null,"topics":["chemistry","mathematica","molecular-graphics","visualizing-molecules","wolfram-language","wolfram-mathematica"],"latest_commit_sha":null,"homepage":null,"language":"Mathematica","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/tpfto.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE.txt","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null}},"created_at":"2017-09-23T14:54:55.000Z","updated_at":"2024-07-27T01:15:56.000Z","dependencies_parsed_at":"2022-08-15T05:10:50.344Z","dependency_job_id":null,"html_url":"https://github.com/tpfto/MoleculeViewer","commit_stats":null,"previous_names":[],"tags_count":4,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/tpfto%2FMoleculeViewer","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/tpfto%2FMoleculeViewer/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/tpfto%2FMoleculeViewer/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/tpfto%2FMoleculeViewer/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/tpfto","download_url":"https://codeload.github.com/tpfto/MoleculeViewer/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":225449300,"owners_count":17476069,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["chemistry","mathematica","molecular-graphics","visualizing-molecules","wolfram-language","wolfram-mathematica"],"created_at":"2024-08-04T09:00:22.004Z","updated_at":"2024-11-20T00:30:52.658Z","avatar_url":"https://github.com/tpfto.png","language":"Mathematica","funding_links":[],"categories":["Chemistry"],"sub_categories":[],"readme":"# MoleculeViewer\n### A package for visualizing molecules.\n\n[![DOI](https://zenodo.org/badge/104575485.svg)](https://zenodo.org/badge/latestdoi/104575485)\n\n![cucurbituril rendered using MoleculeViewer](https://user-images.githubusercontent.com/13274842/65828934-ed138600-e2d2-11e9-9b07-32fb147249d1.png)\n\nMoleculeViewer is a *Mathematica* package that renders molecules in a manner resembling physical molecular models. In particular, multiple bonds are depicted as out-of-plane bonds.\n\nThe package supports additional features like stylized molecule depictions (ball-and-stick, spacefilling, etc.), multiple atom legends, custom coloring of atoms, atom highlighting and tooltips.\n\nThe package also provides a number of auxiliary functions that use the services of [Open Babel](http://openbabel.org/), [Imago OCR](https://lifescience.opensource.epam.com/imago/index.html), [JME](http://www.molinspiration.com/jme/), [Accelrys JDraw](http://download.accelrys.com/freeware/accelrys_draw/ReleaseNotes_AccelrysDraw_4.1.pdf), [JChemPaint](https://jchempaint.github.io/), [ChEMBL Beaker](https://github.com/chembl/chembl_beaker), [ChemSpider](http://www.chemspider.com/), [NCI CACTUS](https://cactus.nci.nih.gov/chemical/structure), [PubChem](https://pubchem.ncbi.nlm.nih.gov/), [RCSB PDB](https://www.rcsb.org/), and [ZINC](https://zinc.docking.org/).\n\nDownload the paclet from the [releases](https://github.com/tpfto/MoleculeViewer/releases) page, and install it by evaluating the following in *Mathematica*:\n\n    Needs[\"PacletManager`\"]\n    PacletInstall[\"/path/to/paclet/MoleculeViewer-1.0.paclet\"]\n\nwhere `\"/path/to/paclet/MoleculeViewer-1.0.paclet\"` should be replaced with the actual path to the downloaded paclet file. \n\nSee the file `molviewer.nb` for more detailed information on the package. A molecule gallery `gallery.nb` is also provided.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Ftpfto%2FMoleculeViewer","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Ftpfto%2FMoleculeViewer","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Ftpfto%2FMoleculeViewer/lists"}