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- concentrations can now be relative - database file can be located anywhere in file system. Added search path priority (first in database file folder, then in cwd, then in assemble home) - improved randomization of in polymers in system (repeat 100 times, select distribution best matching what user wants)
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Original file line number | Diff line number | Diff line change |
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c ./database/cis-PI-monomer.pdb ./database/cis-PI-monomer.txt | ||
t ./database/trans-PI-monomer.pdb ./database/trans-PI-monomer.txt | ||
c .\database\cis-PI-monomer.pdb .\database\cis-PI-monomer.txt | ||
t .\database\trans-PI-monomer.pdb .\database\trans-PI-monomer.txt | ||
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C ./database/cis-PBD-monomer.pdb ./database/cis-PBD-monomer.txt | ||
T ./database/trans-PBD-monomer.pdb ./database/trans-PBD-monomer.txt | ||
C .\database\cis-PBD-monomer.pdb .\database\cis-PBD-monomer.txt | ||
T .\database\trans-PBD-monomer.pdb .\database\trans-PBD-monomer.txt | ||
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V ./database/vinyl-PBD-monomer.pdb ./database/vinyl-PBD-monomer.txt | ||
V .\database\vinyl-PBD-monomer.pdb .\database\vinyl-PBD-monomer.txt | ||
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S ./database/Styrene.pdb ./database/Styrene.txt | ||
e ./database/diethylene.pdb ./database/diethylene.txt | ||
S .\database\Styrene.pdb .\database\Styrene.txt | ||
e .\database\diethylene.pdb .\database\diethylene.txt | ||
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H ./database/hPI-monomer.pdb ./database/hPI-monomer.txt | ||
r ./database/rev-hPI-monomer.pdb ./database/rev-hPI-monomer.txt | ||
H .\database\hPI-monomer.pdb .\database\hPI-monomer.txt | ||
r .\database\rev-hPI-monomer.pdb .\database\rev-hPI-monomer.txt |