Normal Mode Analysis

Hi, it seems you guys are still having busy days. Hope everything going okay.





Now we are extending our charmm-gui, and thinking about adding normal mode analysis module. To get this done, we need an molecular visualization software that support (and displaying) CHARMM trajectory. CHARMM generates a dcd trajectory, which is a bunch of coordinates of each time frame, which out any kind of structural information. Structural information is stored in a different file, .psf.





So what we want for mspace is reading .psf file first and then .dcd file. and display each time frame. Do you think it can be done in MarvinSpace?





Thanks,


Sunhwan

Hi, indeed, we are busy with the finishing touches on the new Marvin and JChem releases...





It's very likely we can do that, we already have sg. similar for xyz files. The big issue here is "when?". It is very likely that this autumn/winter we start a new development in MarvinSpace, this is not yet decided. If yes, then your requests, including all previous ones that have not yet been delivered would be implemented.


Apologies that I cannot give a more definite response at the moment.





Best regards


Miklos