Hi Michal,
replace function 'newpath()' in coord.c (amber/src/carnal) with this code.
The only change I did, was replacement of %d with %05d.
The zero is filling character, and five is total length of the number.
Best,
Filip Ryjacek
/************************************************************************
NEWPATH()
************************************************************************/
/*
* newpath() - try to create a file using iteration as extension
*/
FILE *
newpath(path, base, nonumber)
char *path, *base;
{
FILE *file;
int exists;
if (nonumber)
sprintf(path, "%s", base);
else
sprintf(path, "%s.%05d", base, it+1);
if (fileprob(path, 0, &exists, "COORD")) {
/*
* another chance:
*/
sprintf(path, "%s.a%05d", base, it+1);
if (fileprob(path, 0, &exists, "COORD")) {
printf( "COORD: file %s.%05d exists: not written\n",
path, it);
return(NULL);
}
}
printf("starting new coord output file: %s\n", path);
if ((file = fopen(path, "w")) == NULL) {
perror(path);
return(NULL);
}
return(file);
}
At 13.9.2001 Michal Otyepka wrote:
------------------------------------------------------------------
Dear AMBER,
does anybody have idea how to write out PDB files using by CARNAL in this
format
a.0001
a.0002
etc rather than
a.1
a.2
....
a.1000
Thanks for your suggestions,
Michal Otyepka
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Received on Fri Sep 14 2001 - 10:23:20 PDT
