From 85001f57a619086298af2c283d0e19e426b75dc3 Mon Sep 17 00:00:00 2001 From: Navan Chauhan Date: Thu, 10 Sep 2020 00:49:32 +0530 Subject: created a pdbqt convertor utility --- app/forms.py | 6 ++++++ 1 file changed, 6 insertions(+) (limited to 'app/forms.py') diff --git a/app/forms.py b/app/forms.py index 4a3f880..eaaf547 100644 --- a/app/forms.py +++ b/app/forms.py @@ -45,5 +45,11 @@ class generateSMILES(FlaskForm): n = IntegerField('Number of Molecules to Generate',default=1,validators=[DataRequired()]) #modelSelection = SelectField('Model',choices=[("alpha","Alpha"),("beta","Beta")]) +class generatePDBQTS(FlaskForm): + jobType = SelectField(u'Generate for Protein or Ligand', choices=[("", "Protein or Ligand"),('protein', 'Protein (PDB)'), ('ligand', 'Ligand (SMILES)')], default='SelectOption') + pdb = StringField('PDB ID') + smiles = StringField('SMILES') + name = StringField('Compound Name (Optional)') + class PyMedSearch(FlaskForm): query = StringField('Search Query for PubMed',default="Covid-19",validators=[DataRequired()]) \ No newline at end of file -- cgit v1.2.3