feat(dynamics): added jsmol #9
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## 1.0.0 (2022-12-14) ### 🧹 Chore * add missing help description ([e3dae9d](e3dae9d)) * update readme ([6c57ef9](6c57ef9)) ### 🐛 Fixes * add missing parameter ([7db6d12](7db6d12)) * adicionada biblioteca faltante e corrigido caminho de instalação do GROMACS em distribuições Debian ([b8f6b38](b8f6b38)) * another dep fix ([1087928](1087928)) * another dep fix ([7043efd](7043efd)) * another dep fix ([079c4a2](079c4a2)) * broken dynamic info ([b21a456](b21a456)) * calling script from wrong directory ([8e7435c](8e7435c)) * comandos escritos errados após o mdrun ([a28077c](a28077c)) * corrigido comportamento da tela de progressao da dinamica, adicionados novos campos de forca para a acpype ([827b3aa](827b3aa)) * corrigido erro de redirecionamento nas dinamicas ACPYPE ([8d4f7ad](8d4f7ad)) * corrigido nível de permissão para executar o servidor de produção ([4d6f42b](4d6f42b)) * corrigindo email do destinatario ([35c932f](35c932f)) * deps ver ([2d4dbb0](2d4dbb0)) * desmarca a opção de calcular com dupla precisão. temporariamentr desabilitada ([8b7b12f](8b7b12f)) * dinamica prodrg faltando um parametro no comando grompp ([627c508](627c508)) * disable base env activation by default ([e5b994e](e5b994e)) * durante a instalação não compilar o GROMACS caso encontre algum dos binários dele, `gmx` ou `gmx_d` ([ecba303](ecba303)) * erro de permissão na virtualenv ([07a8432](07a8432)) * faltando tradução análise MD ([962ebdc](962ebdc)) * faltando tradução da análise MD ([9f1e048](9f1e048)) * fechando corretamente os arquivos abertos ([6757f55](6757f55)) * geração de comando errada, diminuido valor do nsteps e adicionado a medida da distancia entre a proteina e a borda da caixa ([7806b0c](7806b0c)) * gnerate secret key on install ([20ce54a](20ce54a)) * instalacao do python3.7 no archlinux ([f4f4aa9](f4f4aa9)) * install on arch linux ([809a24f](809a24f)) * install script improved ([c3836f2](c3836f2)) * install.sh não funcionava em debian/ubuntu ([da75f85](da75f85)) * mdp files download ([a055451](a055451)) * moving config initialization ([f4c9062](f4c9062)) * moving config initialization ([7c67965](7c67965)) * porta em produção ([f39fe76](f39fe76)) * remove gcc10 da lista de dependencias do gromacs ([12eb18b](12eb18b)) * **run:** auto install not prompting for values ([b02bffb](b02bffb)) * running pip install virtualenv without sudo ([abf0494](abf0494)) * tela de minhas dinamicas quebradas por conta da data ([228f636](228f636)) * upload de arquivo quebrado na enzima APO ([8f726eb](8f726eb)) * use curl instead of wget ([d54daa8](d54daa8)) * verifica e pula a compilação do gromacs se jpa estiver instalado ([590240a](590240a)) * virtualenv não estava sendo inicializado corretamente ([8211ca0](8211ca0)) * works flawlessly ([1733a21](1733a21)) ### ✨ Features * add gpu installation support ([e04a623](e04a623)) * add link to recommended example molecule ([e1d3fd0](e1d3fd0)) * add page title for each page and updated analytics gtag ([516e978](516e978)) * adicionado favicon ([1b96fb1](1b96fb1)) * adicionado outro step na lista de execução de dinamicas ([bcf22f6](bcf22f6)) * administrator and no-reply email on OS enviroment instead of plaintext ([d75532d](d75532d)) * coloring installer ([bd7635a](bd7635a)) * do not recreate visualdynamics conda environment ([3bfb3ca](3bfb3ca)) * **dynamics:** added jsmol ([#9](#9)) ([5c8a1e5](5c8a1e5)) * envia email a cada requisição de cadastro bem sucedida ([5429ce3](5429ce3)) * finished one line install ([1cfb1a0](1cfb1a0)) * hide most part of build info during installation ([27851b8](27851b8)) * instalação do gromacs pulada se já instalado ([9288a70](9288a70)) * install reescrito, dependências atualizadas, suporte ao python 3.10 ([d24da7c](d24da7c)) * migrate to miniconda ([8e64626](8e64626)) * modularizaçao do app seguindo o conceito de blueprints do flask ([e339545](e339545)) * servidor WSGI para produção adicionado, evitar usar flask run em produção ([72ce1fd](72ce1fd)) * starting one line install script ([38ad717](38ad717)) * update to fontawesome 6 self hosted ([7f7564c](7f7564c)) * video explicativo para dinamica acpype ([8a30a43](8a30a43)) ### 🔁 CI * add missing dep ([bb54157](bb54157)) * fix packager once again ([95f0c8d](95f0c8d)) * fix using wrong packager ([47f2b98](47f2b98)) * remove unneeded yarn files ([80c97fd](80c97fd)) * trying auto-release ([3d8e293](3d8e293))
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🎉 This PR is included in version 1.0.0 🎉 The release is available on GitHub release Your semantic-release bot 📦🚀 |
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Added JSmol to preview the free protein selected on Free, ACPYPE and PRODRG dynamics