iMolecular Builder 4+

song hyunsub

    • 5.0 • 2 Ratings
    • $7.99

iPhone Screenshots


The IMoleBuilder is an application that can view, edit and build molecules in 3D.
Users can easily analyze a molecular structure by rotating, moving, and zooming it.

[Support file format]
PDB : Protein Data Bank format(*.pdb)
MOL : MDL Mole files(.mol)
XYZ : XYZ cartesian coordinates(*.xyz)
MOL2: Sybyl Mol2 format(*.mol2)
CIF : Crystallographic Information
RES : ShelX format [Read-only]
SMO : Save all molecular information(include cell, surface, measure information) and view window information(scale, rotation, etc.) (*.smo)

[Open & Save]
FTP Server
Web(Open only)
Email(Open an email attachment)
SMole:(iMoleBuilder for Windows - You can download from IMoleBuilder Support page for free.)

[View style]
Line, Ball, Stick, Ball & Stick, Scaled Ball, Solvent.
Surface, Ribbon, Cartoon, Tube, Trace.

[Work Tool]
Cursor tool, Info tool, Add tool, Delete tool, Measure tool.

Molecular Builder , Crystal Builder, Surface Builder, Carbon Nanotube Builder, Force Field.

Coordinate, Length, Angle, Torsion information.

What’s New

Version 3.7.1

bug fix.

Ratings and Reviews

5.0 out of 5
2 Ratings

2 Ratings

Brad Larson ,

A very powerful tool

This application is loaded with features for constructing and viewing molecules. As the author of a "competing" application, Molecules, I can say that this one has many features that I will most likely never implement in my own program. The carbon nanotube and crystal structure generation alone could make it very interesting to a few classes of users. If you are a chemist, materials scientist, or even student, I think you'll get your money's worth out of this application.

Enantiomer ,

Great, but needs fine-tuning

iMole has easily become my favorite applications for a variety of reasons, from the visual glamour to the ability to structure your molecule's bond length to the nearest thousandth (or less even) of an Å. My favorite tool of course is the auto-optimization tool which structures a compound to its best conformation, saving me loads if time (user beware though it doesn't take preferred R and S enantiomers) However I would love to see some instructions for some of the trickier parts of this application, such as crystalline structures, and it ABSOLUTELY needs a guide to downloading molecules off the Internet (for those of us less Internet savvy). I'd also adore other potential features in this application, such as electrostatic potential mapping (if it has it I haven't been able to find it)
Over all though this is a must have for anyone with interest in molecules, or even the acerage organic chem student who want's to save $40 on a molecule building kit for something that gives them so much more!

Nanobuggy ,

Optimize option please

Very well done app, however, as one other reviewer mentioned, please bring back the optimization functionality as without it this app is next to useless for creating your own molecules. I understand you may have removed it as it was not perfect (optimization algorithms can be complex and tricky and not work in all situations) but something is better than nothing. Especially if you have the basic interactions for the common atoms mostly accurate. (Plus it needs more than one page of help, including for the other build modes such as crystal.)

Additionally, when you enter parameters in places such as CNT builder, please remember them for next time you enter CNT builder. Don't keep going back to the same original default values. I like all my CNT as short (6,0), not long (10,10). And please add an option to build a CNT and add it to the current molecule, rather than replacing it, so we can form more complex molecules by joining CNTs.

App Privacy

The developer, song hyunsub, indicated that the app’s privacy practices may include handling of data as described below. For more information, see the developer’s privacy policy.

Data Not Collected

The developer does not collect any data from this app.

Privacy practices may vary, for example, based on the features you use or your age. Learn More


  • Family Sharing

    Up to six family members can use this app with Family Sharing enabled.

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