Hi,
I would like to start using x-plor for determining nmr solution structures (ok, one to start with ;-) ). All I have is the handbook (rather confusing) and an installed version of x-plor 3.1 (whether correctly installed or not I dont know, there is no
Currently I have two major problems:
1. Is there a possibility to figure out, if the program is correctly
and completely installed. (I have some doubts about that, as files
like the "generate_inp" or "generate_template_inp" etc. are nowhere
to be found in the working directory - but everyone in this newsgroup
is talking about them (and if I understood it correctly, they are
using them for generating a file that contains the input parameters.
Still there is a file called "xgenerate.inp" but neither I can open
it directly nor could I figure out any other way.)
2. Is there any tutorial/handbook/description that gives a step-by-step
instruction on how to start the program, write the first simple
sequence, introduce restraints and define the necessary calculation
protocols? Lets say, some example structure and files, containing all
intermediate results, so that I can run a tutorial of the programm
and see, if I come up whith the correct result?
Sorry for such a long long mail, but I'm really lost at the moment and do not know there to start. Any help will be greatly appreciated.
Matthias Jank
