Sunset Lake Software - Comments for "Molecules source code now available"

I would like to thank you for

I would like to thank you for posting your source code. On the first 2 pages of searching:"swipe input ios opengl es 2.0" on google your source is the only one clear enough to understand. Cool app btw.

This is very helpful for the

This is very helpful for the startup developers who have to do it all from scratch,
can you please update the content so that it can work with the current sdk
as initWithFrame is depreciated in iOS 3 its not working in current version can you fix that.

No, I don't think I'll ever

No, I don't think I'll ever do this. First, it would require a tremendous amount of work and a totally reworked interface to accomplish this (it's nowhere near as simple as just adding an option for dragging elements into the structure). Second, I like the idea of focused applications on mobile devices, and the mission of this application is visualization of structures, not creation of new ones. I'd prefer to keep it that way.

However, there are applications that do this, such as iMoleBuilder. Perhaps one of those would be a solution for what you want, with something like Molecules available as a viewer for structures created there.

is there any way to set the

is there any way to set the application up to where someone can create their own molecule? perhaps a drag and drop menue giving all options of bonds and elements? this would be a great help, especially to my AP chemistry students who use this app.

Thanks a lot for putting the

Thanks a lot for putting the stuff. I really found it very useful.

Is there a possibility that

Is there a possibility that we can use GZip to compress data? I believe what you do it unzip a compressed file in your application and not the other way.

I'm sorry, all the work I do

I'm sorry, all the work I do is with standard Cocoa on the Mac and iPhone. I haven't spent any time with GNUStep, so I can't point out many resources there. You might try asking on Stack Overflow, because there appear to be some people familiar with GNUStep there.

Hi, Thanks for

Hi,

Thanks for having an Open Source Heart,

I'm a person with Open Source Heart. Now i'm supposed to learn Objective-C with GNUstep.
But is finding it hard to get hands with some code to learn it.
you know its hard without an IDE and IDEA.

If you have access to any code that may help me understand , for example, XML Parsing, please let me know it.

I know it sounds irritating, but i am sitting lonely without any help.

Pls Help me.

What standard would you

What standard would you suggest for the element colors? I'm currently using Jmol's color scheme, which looked to be the same as other modeling applications out there. They also looked familiar to me, so I had assumed that these colors were standard.

I plan on adding support for other file formats soon, including CIF and XYZ. I can add .mol and .sdf files to the list.

I've tried to keep the interface on the rendering view sparse. There's limited real estate to work with on the device, so I want to make sure that it's not cluttered. I'm not convinced that a drop-down menu would work all that well, but I'll look into it. A better place to put rendering options for a molecule may be in its detail view that you can reach via the table listing all molecules. As far as a next / previous molecule option, maybe using shaded arrows at the top of the screen that fade in and out when you tap on the screen might work.

Tapping to highlight a specific residue might be tricky. Again, maybe this could be selected in the detail view for the molecule.

I only intend this to be a visualizer, so I'll probably keep its feature set restricted to just those functions. The construction operations you describe I think are far better suited to a desktop client, so I might look at putting those in the desktop version of Molecules that I'm working on.

I liked your application and

I liked your application and I have a few suggestions.

1] Could you use standard element colors in your stick models? Many computational chemists often look at large molecules as stick renderings of standard element colors without hydrogen atoms.

2] Could you get your application to read *.mol (single molecule) and *.sdf (mol database) files? These files are essentially text files - similar to *.pdb files.

3] Could you put rendering, coloring and 'next molecule' options in drop down menus on the top?

4] Ability to highlight one or more residue / chain in a *.pdb file would be most useful.

-Samir

PS. It would be awesome if you had a molecule builder + primitive forcefield optimizer + ability to save said molecule as a *.mol file. I could help you with selecting and implementing/ validating MM forcefields and optimization protocols.