I've been able to build and run hbplus / ligplot and thought that others
may be interested in the experience. Ligplot is not part of the ccp4
suite, but it is very widely used among structural biologists. Therefore
this may be of interest to some of you.
1- Compilation is performed with the following flags:
-lm -O2
2- ligplot compiles w/o problems.
3- hbplus has required a few minor changes to the sources.
a) In accall.f, in the subroutine sumner, rmaxr has to be
explicitly declared as integer. Otherwise an error is generated at
compilation with the flags as above (which are specified in the
Makefile).
b) In hbp_inpdb.c, closing a file which doesn't exist (i.e. the
pointer to the file is null) makes the program crash at runtime. It
seems that changing the line that reads:
fclose(sstfp);
to:
if (sstfp) fclose(sstfp);
is enough to eliminate the problem. However just to be safe I recommend
to search for all fclose instructions in all C sources, and add similar
tests when needed. So for instance the following line in hbp_inpdb.c is
now:
if (ifp) fclose(ifp);
Etc. There are a few locations in the original source where the test is
already found: don't add it twice! The rationale for this precaution is
that there may be other parameters to the program which I haven't tested
and could generate the crash elsewhere. In any case this change will not
affect the result (there is obviously nothing to gain by closing a file
which is not opened in the first place) or prevent compilation on
another platform.
These appears to be the only changes that are needed. Note that the
above applies to version 4.something from Andrew Wallace, Roman
Laskowski (ligplot) and Ian McDonald (hbplus). There are more recent
versions available, but I don't have access to them and therefore cannot
comment for these.
Another nail in the SGI/IRIX coffin.
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