In article <5f77np$bsi at nntp.Stanford.EDU>, leitgeb at variable.stanford.edu
>>Andrew Dalke (dalke at ks.uiuc.edu) wrote:
>>: > Would it be worthwile to develop molecular modelling software in
>: > FORTRAN,
>You could use f2c to convert the fortran sources to C sources and then
>recompile them as C libraries .... or even link C with FORTRAN ?
If you do go the Fortran route it would be a real help to check that
that it can be compiled with g77 (the Fortran-77 front end for gcc)
as this copes better than f2c with complex code. Alas g77 still has
its limitations but it has successfully compiled a variety of public
domain fortran sources for me under Linux. It would be very helpful
to check that the code is g77 compliant and make any (usually minor)
changes that would be needed.
Bernard Murray, Ph.D.
bernard at elsie.nci.nih.gov (National Cancer Institute, NIH, Bethesda MD, USA)