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MarvinJS usage at University of Chemistry and Technology, Pr

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Martin Mastny

on 22 August 2017

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Transcript of MarvinJS usage at University of Chemistry and Technology, Pr

MarvinJS usage at University of Chemistry and Technology, Prague
ChemAxon User Meeting, Budapest, 2017
Presented by: Martin Mastny
Centre for Information Services, UCT Prague

Introduction of UCT Prague
One of two Czech chemical universities, only one in Prague
4 faculties, 3000 – 4000 students, 1000 employees
Highest ratio of Ph.D. students in Czech, 30 conferences/year
Times Higher Education - top 4% of universities in the world
Departments in other Czech cities – importance of distance learning
Centre for Information Services established 2012
Need of a central place to store and present distance learning materials
2013 - e-learning.vscht.cz – first online course at UCT (Moodle)
2017 - around 300 courses – not all of these are interactive

Types of e-learning materials at UCT
Teachers/tutors are able to create content using LMS tools
Use of well known LMS with lots of features
Customizable by lots of plugins, which are mostly free to use

LMS Moodle
Custom made web applications
Tailored and designed exactly according to teacher‘s idea
Better integration of other software tools (MarvinJS)
Integration of “admin“ section for teachers

Continuous MarvinJS integration
Several usages of MarvinSketch at UCT, Prague – some of these becoming old
MarvinJS is developed by ChemAxon – replacing Java for JavaScript
Constant need of a chemical drawing tool/editor integrated to an
e-learning platform
Use of existing plugins – easyochem – Dr. Carl LeBlond, Indiana University of Pennsylvania
MarvinJS integrated into TineMce – teachers able to draw structures and edit them in any place in Moodle

MarvinJS integrated in Moodle
Very first step in working with MarvinJS
Very basic usage
Throughout whole Moodle LMS
Teachers/tutors able to:
customize output image via export settings
customize image dimensions
edit saved image later
Ideas of other useful usages – nice API, lots of other features, pure JavaScript !!!

Organic chemistry web application
Applicaion outside of Moodle, based on the previous version (MarvinSketch), Czech/English version
Primary purpose - train, not examinate
Made according to ideas of organic chemistry teachers
Teachers “build“ questions from predefined steps, draw answers in MarvinJS, students can then select category and form of exercise
Each submitted answer is then checked, hints are given
Relies heavily on MarvinJS, JChem webservices
Teachers get basic stats about students‘ answers

Organic chemistry - question add/edit
Question consists of steps, several types of steps
two of these involve MarvinJS (drawn image, expected answer)
MarvinJS opens in pop-up
Editable MarvinJS presets for each question
Structure is exported and image data saved
Image data exported and saved as base64 encoded PNG image
Export to comparable formats – smiles/INCHI – JChem webservices called for conversion

Organic chemistry - student's view
Example of a previous simple 5-step question
Students are supposed to answer in MarvinJS
Answer is converted to comparable chemical
format (smiles) and checked
Two types of hints are presented in case of wrong answer
Student can see the right answer – placed in hidden editor, available after first unsuccessful try
Stats are collected, each answer is noted

Inorganic chemistry web application
Same demands as organic chemistry application – let students practice, Czech version only, preparing English
3 subapplications:
Lewis structure creation (MarvinJS used here)
practicing VSEPR method
bond length/bond angle comparison
Teachers able to define molecules + properties in admin area
Students go through Lewis structure creation wizard
Different setups of MarvinJS used, with different features turned on
3-4 MarvinJS editors cooperate together in each wizard

Inorganic chemistry - Lewis structure
Several steps of Lewis structure creation (valence electron calculation, skeleton drawing, lone pair placement, formal charges, resonance structures etc.)
Some of those use MarvinJS (molecule skeleton, lone pair placement, resonance structures)
Lots of presets of MarvinJS
(Need of custom button/editor toolbar buttons definition)

Question type in Moodle
Based on work of Carl LeBlond, Indiana University
Whole plugin revised and completely rewritten
Added some key features – MarvinJS preset per question, Jchem webservices support, better user interaction etc.
Effort to make this an official Moodle plugin (backwards compatibility, author‘s agreement etc)
Field opened for creating new “chemical“ plugins for Moodle
Plugin can also be OpenBabel based - not dependent on JChem webservices

Why we use MarvinJS at UCT Prague?
Basically it just works!
No need of additional plugins/technologies just modern web browser
JS API which is really rich when used with editor only
JChem webservices connected to the editor add new functionality
Extraordinary user support!
Active product, release model, bugfixes

Thank you for your attention!
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