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int main (void) |
int main (void) |
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{ |
{ |
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β | const char *filename = "benzodiazepine.sdf"; |
+ | const char *filename = "benzodiazepine.sdf"; |
try |
try |
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#Paste the above code into utils/count_heavy.cpp file |
#Paste the above code into utils/count_heavy.cpp file |
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#Compile the file using the following commands:<br />$ cd graph; make CONF=Release32; cd ..<br />$ cd molecule; make CONF=Release32; cd ..<br />$ cd utils<br />$ gcc count_heavy.cpp -o count_heavy -O3 -m32 -I.. -I../common ../molecule/dist/Release32/GNU-Linux-x86/libmolecule.a ../graph/dist/Release32/GNU-Linux-x86/libgraph.a -lpthread -lstdc++ |
#Compile the file using the following commands:<br />$ cd graph; make CONF=Release32; cd ..<br />$ cd molecule; make CONF=Release32; cd ..<br />$ cd utils<br />$ gcc count_heavy.cpp -o count_heavy -O3 -m32 -I.. -I../common ../molecule/dist/Release32/GNU-Linux-x86/libmolecule.a ../graph/dist/Release32/GNU-Linux-x86/libgraph.a -lpthread -lstdc++ |
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β | #Run the program like that:<br />$ ./count_heavy |
+ | #Run the program like that:<br />$ ./count_heavy benzodiazepine.sdf |
==Indigo/Python== |
==Indigo/Python== |