CatDCD 4.0

CatDCD project functions much like the Unix "cat" command: it concatenates DCD files into a single DCD file. You can also use catdcd to write only selected atoms to the final DCD file.
Main features:
- catdcd functions much like the Unix "cat" command: it concatenates DCD files into a single DCD file.
- It also allows the user to specify which atoms and which frames should be written into the output file; thus DCDs can be split as well as combined.
Unpack the distribution package. A directory named catdcd will be created.
Enter that directory and type "make". To use a different compiler or compile
flags, edit the first three definitions in the Makefile.
Usage
catdcd -o [-i ] [-first first] [-last last]
[-stride stride] ...
OR
catdcd -num ...
-o : Specify the output file for CatDCD. Required, unless -num
is present (see below).
-num: When present, no output file will be written. Instead, CatDCD prints
the number of frames in each file, then exits.
-i :
should contain the (zero-based) indices of the atoms in the
dcd files whose coordinates are to appear in the output file. The indices
should be ASCII text, separated by whitespace.
-first first: Specify the first frame to be written to the output file.
Default is 1 (write starting from the first frame read).
-last last: Specify the last frame to write. Default is the last frame in
the last file.
-stride stride: Specify how many frames to skip when writing. Default is 1
(dont skip any frames).
The input files may be any combination of charmm or xplor format, and big-
or little-endianness. However, they must all have the same number of atoms.
The code uses only standard C library commands and should thus be portable to
pretty much anywhere, including non-Unix platforms (I havent tested this ;-)
DCDs with fixed atoms will not work properly. (FIXED in version 3.0).
Enhancements:
- This version is based on the VMD plugin source tree and includes all of the file format support provided by the VMD plugins.