1 # Set of programs to convert UNRES xdrf format (compressed Cartesian coordinates) to PDF
2 # or raw-Cartesian format (*.x) or to extract backbone angular coordinates (*.ang)
3 # The pdb files can be constructed from canonical or MREMD trajectories.
5 # The xdrf library is required
9 # xdrf2pdb : converts a single cx trajectory file to PDB format
10 # xdrf2x : converts a single cx trajectory file to raw-coordinate (x) format
11 # xdrf2ang : extracts backbone angles from a cx trajectory file
12 # xdrf2pdb-m : converts a selected trajectory of a MREMD run dumpend into a cx file to PDB format
14 # xdrf2pdb1 : converts conformation(s) selected from a wham post-processing run into PDB format
15 # xdrf2x1 : converts conformation(s) selected from a wham post-processing run into raw (x) format.
28 CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI -DSPLITELE -DPROCOR -DNEWUNRES
31 M4FILE = underscore.m4
35 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
37 ${CC} -c ${CPPFLAGS} $*.c
39 xdrf2pdb: xdrf2pdb.o geomout.o misc.o rescode.o nazwy.o xdrf/libxdrf.a
40 ${FC} -Bstatic -o ${BINDIR}/xdrf2pdb xdrf2pdb.o geomout.o rescode.o misc.o nazwy.o xdrf/libxdrf.a
42 xdrf2pdb-m: xdrf2pdb-m.o geomout.o misc.o rescode.o nazwy.o xdrf/libxdrf.a
43 ${FC} -Bstatic -o ${BINDIR}/xdrf2pdb-m xdrf2pdb-m.o geomout.o rescode.o misc.o nazwy.o xdrf/libxdrf.a
45 xdrf2pdb1: xdrf2pdb1.o geomout.o misc.o rescode.o nazwy.o xdrf/libxdrf.a
46 ${FC} -Bstatic -o ${BINDIR}/xdrf2pdb1 xdrf2pdb1.o geomout.o rescode.o misc.o nazwy.o xdrf/libxdrf.a
48 xdrf2x: xdrf2x.o xdrf/libxdrf.a
49 ${FC} -o xdrf2x xdrf2x.o xdrf/libxdrf.a
51 xdrf2x1: xdrf2x1.o xdrf/libxdrf.a
52 ${FC} -o xdrf2x1 xdrf2x1.o xdrf/libxdrf.a
54 xdrf2ang: xdrf2ang.o misc.o rescode.o nazwy.o intcor.o arcos.o xdrf/libxdrf.a
55 ${FC} -Bstatic -o ${BINDIR}/xdrf2ang xdrf2ang.o rescode.o \
56 misc.o nazwy.o intcor.o arcos.o xdrf/libxdrf.a