Ok, I think I follow you now. The simplest and easiest (not the most
elegant and fast tough) answer is: do more or less what do_dssp/DSSP do
together. Just print a PDB per each consecutive frame (using "trjconv") and
run your program on each one. You now either save one output per PDB and do
the
Dear João and Dan
Thank you for the response and I am sorry for the confusion.
I will try explaining my query with one example:
In GROMACS, there are many programs available for the analyses of the
trajectory. One of them is "do_dssp".
For this purpose, one need to have dssp installed locally.
Hi Prasun,
Does your question have to do with reading the .trr format?
If you want, you could convert it into a friendlier format such as .gro.
Use gromacs trjconv to convert from .trr to .gro format.
Best Regards,
Dan
On Saturday, September 17, 2016, João Henriques <
Dear Prasun,
I am genuinely puzzled by your email. If taken literally, I'd have to
assume that you are stating that you don't know how to feed the trajectory
file as an argument to your programs, but that doesn't make any sense,
given that you explicitly say that you coded the programs yourself.
Hello
I have written some programs in Fortran and PERL.
Now I want to make them run on a trajectory file (.trr).
Can some body guide me for the same. I believe that it must be available on
net. However, I was not able to find so.
Thanx in advance.
Regards
Prasun
PRASUN (ASHOKA)
Desire +
