makefile

最经典的分子对结软件

# makefile for DOCK 3.5 accessories subdirectory

MAKE = make
FFLAGS = -O2 -NC200

BIN = ../bin

PROGS = \
	addprh \
	cluster \
	condense \
	conect \
	convsyb \
	delphiscore \
	db3todb35 \
	fdat2pdb \
	fixDOCKout \
	get_near_res \
	hbdata \
	mol2sdf \
	oldscore \
	pdb2ms \
	pdbrenum \
	pdbtosph \
	rebump \
	reformatms \
	reformH \
	rmsd \
	showbox \
	showsphere \
	sphgen \
	splitmol

SCRIPTS = \
	autoMS \
	charge \
	decolorize \
	formatINDOCK \
	invertPDB \
	mol2sph \
	x2pdb

OBJS = \
	addprh.o \
	conect.o \
	convsyb.o \
	delphiscore.o \
	hbdata.o \
	heapindex.o \
	ms2dot.o \
	oldscore.o \
	pdb2ms.o \
	pdbtosph.o \
	reformatms.o \
	showbox.o \
	showsphere.o \
	showbox.o \
	sphgen.o

OBJS_DAG = \
	condense.o \
	db3todb35.o \
	fixDOCKout.o \
	fdat2pdb.o \
	get_near_res.o \
	mol2sdf.o \
	pdbrenum.o \
	rebump.o \
	reformH.o \
	rmsd.o \
	splitmol.o

OBJS_CLUS = \
	cluster.o \
	clus.o \
	avrsph.o \
	rdclus.o \
	fixclu.o \
	getclu.o \
	reords.o

#############################################################################

install: all
	mv $(PROGS) $(BIN)
	cp $(SCRIPTS) $(BIN)


all: $(PROGS)

clean:
	rm -f $(OBJS) $(OBJS_CLUS) $(OBJS_DAG) readMOL2.o writeSDF.o

uninstall:
	cd $(BIN); rm $(PROGS)

#############################################################################

#_____________________________________________________________________________
# General dependencies

$(OBJS_DAG) : aesthetics.h

$(OBJS_CLUS): cluster.h


#_____________________________________________________________________________
# Subroutines

aesthetics.o: aesthetics.f aesthetics.h
getElement.o: getElement.f elements.h
readMOL2.o: readMOL2.f
writeMOL2.o: writeMOL2.f
readSDF.o: readSDF.f
writeSDF.o: writeSDF.f
parsefield.o: parsefield.f


#_____________________________________________________________________________
# Programs

addprh: addprh.o
	f77 $(FFLAGS) addprh.o -o addprh

cluster: $(OBJS_CLUS)
	f77 $(FFLAGS) $(OBJS_CLUS) -o cluster


condense: condense.o aesthetics.o
	f77 $(FFLAGS) condense.o aesthetics.o -o condense


conect: conect.o
	f77 $(FFLAGS) conect.o -o conect


convsyb: convsyb.o
	f77 $(FFLAGS) convsyb.o -o convsyb

db3todb35: db3todb35.o aesthetics.o
	f77 $(FFLAGS) db3todb35.o aesthetics.o -o db3todb35


delphiscore: delphiscore.o
	f77 $(FFLAGS) delphiscore.o -o delphiscore

fixDOCKout: fixDOCKout.o aesthetics.o 
	f77 $(FFLAGS) fixDOCKout.o aesthetics.o -o fixDOCKout

fdat2pdb: fdat2pdb.o aesthetics.o 
	f77 $(FFLAGS) fdat2pdb.o aesthetics.o -o fdat2pdb

get_near_res: get_near_res.o aesthetics.o 
	f77 $(FFLAGS) get_near_res.o aesthetics.o -o get_near_res

hbdata: hbdata.o
	f77 $(FFLAGS) hbdata.o -o hbdata

mol2sdf: mol2sdf.o writeSDF.o readMOL2.o parsefield.o aesthetics.o 
	f77 $(FFLAGS) mol2sdf.o aesthetics.o writeSDF.o readMOL2.o parsefield.o -o mol2sdf

oldscore: oldscore.o
	f77 $(FFLAGS) oldscore.o -o oldscore

pdb2ms: pdb2ms.o
	f77 $(FFLAGS) pdb2ms.o -o pdb2ms

pdbrenum: pdbrenum.o aesthetics.o
	f77 $(FFLAGS) pdbrenum.o aesthetics.o -o pdbrenum

pdbtosph: pdbtosph.o
	f77 $(FFLAGS) pdbtosph.o -o pdbtosph

rebump: rebump.o aesthetics.o 
	f77 $(FFLAGS) rebump.o aesthetics.o -o rebump


reformatms: reformatms.o
	f77 $(FFLAGS) reformatms.o -o reformatms

reformH: reformH.o aesthetics.o
	f77 $(FFLAGS) reformH.o aesthetics.o -o reformH

rmsd: rmsd.o aesthetics.o 
	f77 $(FFLAGS) rmsd.o aesthetics.o -o rmsd


showbox: showbox.o
	f77 $(FFLAGS)  showbox.o -o showbox


showsphere: showsphere.o
	f77 $(FFLAGS)  showsphere.o -o showsphere


sphgen: sphgen.o
	f77 $(FFLAGS) sphgen.o -o sphgen

splitmol: splitmol.o aesthetics.o heapindex.o
	f77 $(FFLAGS) splitmol.o aesthetics.o heapindex.o -o splitmol


#_____________________________________________________________________________
#_____________________________________________________________________________
# special programs - these are NOT be included in the general make and
# must be explicitly made, e.g. make ms2dot
 
# The following program requires access to SYBYL routines - please make sure
# TA_ROOT is updated appropriately.
# If sybyl development libraries are not installed, you must install them
# from your Tripos distribution media, e.g.
# 		sh $TA_ROOT/install/InstallSybyl cdrom development

TA_ROOT = /bert/sybyl61

ms2dot: ms2dot.o
	f77 $(FFLAGS) -o $(BIN)/ms2dot ms2dot.o \
          $(TA_ROOT)/lib/libxinterface.a \
          $(TA_ROOT)/lib/libsyb.a \
          $(TA_ROOT)/lib/uims2.a \
          $(TA_ROOT)/lib/libutl.a \
          $(TA_ROOT)/lib/libsystemdep.a \
          $(TA_ROOT)/lib/libdisplay.a