General discussion

I've been struggling with a pdb file that only shows the asymmetric unit in Molecules rather than the biomolecular assembly. I can download the gz file from the pdb onto the desktop Mac and transfer to molecules. However, opening the file shows the asymmetric unit. I think that downloading the file directly into molecules has a similar outcome.

I've also had similar issues with desktop packages (imol, jmol, Accelerys viewer). I'd like to use the file in lectures on the ipad, so any help would be welcomed.

Cheers,
Gibbo

When I go to the "download new molecules" page, for both pubchem and pdb, my searches only turn up web pages with no way, as far as i can tell, to actually download anything. What am I missing?
Thanks in advance!

Dear Brad,

Congratulations on a super app. I am going to use this in undergrad lectures on an ipad.

Really easy to upload ones own pdb files from iTunes, now. Super.

In order to remove the screen clutter I have been trying to hide the pull down menu listing the downloaded pdb files.

I am notorious for not seeing things right in front of me, am I missing something in how to hide this? Might be blindingly obvious to most but not to me.

Cheers,
Gibbo

I was in the Verizon store in Mass yesterday and the IPAD display had molecules running but the format was called "ribbons" It was beautiful. How can I get that to run on mt downloaded version of molecules
carl

I'm surely missing something. How do I download new molecules??

Hi Brad,

I wanted to thank you for making the molecules source available. As someone learning iOS it has been invaluable to help understand how to do universal work.

I do have a question... very general...

I took your concepts in Molecules and created a base empty project that I could use as a starting point. Basically I ripped out all of the molecule stuff and added a few of my own things. For the longest time the app would just simply crash on startup. I spent a lot of time side-by-side comparing it to molecules and was convinced everything was identical. Still it crashed.

Brad I wanted to thank you for sharing your molecules source and knowledge you've learned. I've been developing for the ipad for 5 weeks and I always come back to your source.

I love this application, but hasn't been really useful for me yet. I finally found a database that has all the molecules I would be interested in but I can't get them to download. I think it's because they have some sort of button that runs some code and not just a link. It dowloads to my computer just fine but I don't really want to go through all the nonsense getting it from my computer to my iPod. I'm trying to get pdbs from the NCI database.

Brad, are there any plans to include some of the functions found in Swiss PDB viewer or similar applications? I am particularly interested in allowing my students to measure the distance between atoms. Obviously this would require an atom or amino acid labeling function, and a distance calculator. I am not a proficient programmer but would be interested in assisting with the development. I am currently using your app on Ipads in a Molecular Biology class at U. Cincinnati. It would be great to allow them to do a few more things with it.

- David

I do not know if anyone has already realized that behaviour...if you perform a manual rotation via swipe gesture there is sometimes a little lag.
This is the result of the rotation design and the iOS having to decide if a double/single tap occured. Consequently, the very first call of touchesMoved takes longer than subsequent calls. Therefore it would be better to store the very first touch location in touchesMoved and not in touchesBegan.

like

touchesBegan:
if (swipe) flag=YES; // ...swipe => [totalTouches count] ==1

touchesMoved: