MolDB6

a free software package for creating a web-based, searchable molecular structure/reaction database

Norbert Haider, University of Vienna, 2014-2018
norbert.haider@univie.ac.at
For a detailed describption, please visit the project homepage at http://merian.pch.univie.ac.at/~nhaider/cheminf/moldb6.html.

Some Screenshots


Start page

start page


Browse a data collection

browse

Details for an entry

details

Text search

text search

Text search (advanced mode)

advanced text search

Search results (text search)

results (text search)

Functional group search

functional group search

Search results (functional group search)

functional group search results

Hitlist download option

hitlist download

Structure search (optionally with selectable editor)

structure search 1

Editor window (structure search)

editor window

Search results (structure search)

structure search results

Administration page (main)

administration page

Administration: data collection properties

data collection properties

Data field properties

data field properties

Format option for data fields

format options

Input/editing of entries

input and editing

Editing a selected entry

editing an entry

Batch export of entries

data export

JSmol/JSV for advanced data display: spectra (1)

JSV pop-up for spectra (1)


JSmol/JSV for advanced data display: spectra (2)

JSV pop-up for spectra (2)


JSmol/JSV for advanced data display: 3D structures

JSV pop-up for 3D structures






NH, 2018-01-12; last update: 2018-01-12