# Set of programs to convert UNRES xdrf format (compressed Cartesian coordinates) to PDF
# or raw-Cartesian format (*.x) or to extract backbone angular coordinates (*.ang)
# The pdb files can be constructed from canonical or MREMD trajectories.
#
# The xdrf library is required
#
# Programs
#
# xdrf2pdb   : converts a single cx trajectory file to PDB format
# xdrf2x     : converts a single cx trajectory file to raw-coordinate (x) format
# xdrf2ang   : extracts backbone angles from a cx trajectory file
# xdrf2pdb-m : converts a selected trajectory of a MREMD run dumpend into a cx file to PDB format
#
# xdrf2pdb1  : converts conformation(s) selected from a wham post-processing run into PDB format
# xdrf2x1    : converts conformation(s) selected from a wham post-processing run into raw (x) format.
#
# 9/23/2010 A. Liwo

FC=ifort

BINDIR = ../../../bin/xdrfpdb

#OPT =  -fast
OPT = 

FFLAGS = -c ${OPT} 

CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI -DSPLITELE -DPROCOR -DNEWUNRES

M4 	= m4
M4FILE	= underscore.m4

.SUFFIXES: .F
.F.o:
	${FC} ${FFLAGS} ${CPPFLAGS} $*.F
.f.o:
	${FC} ${FFLAGS} ${CPPFLAGS} $*.f
.c.o:
	${CC} -c  ${CPPFLAGS} $*.c

xdrf2pdb: xdrf2pdb.o geomout.o misc.o rescode.o nazwy.o xdrf/libxdrf.a
	${FC} -Bstatic -o ${BINDIR}/xdrf2pdb-mult xdrf2pdb.o geomout.o rescode.o misc.o nazwy.o xdrf/libxdrf.a

xdrf2pdb1: xdrf2pdb1.o geomout.o misc.o rescode.o nazwy.o xdrf/libxdrf.a
	${FC} -Bstatic -o ${BINDIR}/xdrf2pdb1-mult xdrf2pdb1.o geomout.o rescode.o misc.o nazwy.o xdrf/libxdrf.a

xdrf2pdb-m: xdrf2pdb-m.o geomout.o misc.o rescode.o nazwy.o xdrf/libxdrf.a
	${FC} -Bstatic -o ${BINDIR}/xdrf2pdb-m-mult xdrf2pdb-m.o geomout.o rescode.o misc.o nazwy.o xdrf/libxdrf.a

xdrf2x: xdrf2x.o xdrf/libxdrf.a
	${FC} -o xdrf2x xdrf2x-mult.o xdrf/libxdrf.a

xdrf2x1: xdrf2x1.o xdrf/libxdrf.a
	${FC} -o xdrf2x1-mult xdrf2x1.o xdrf/libxdrf.a 

xdrf/libxdrf.a:
	cd xdrf && make

clean:
	rm -f *.o