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2016-4 Schrodinger Python API
Package schrodinger :: Package application :: Package combiglide :: Package packages :: Module chutils :: Class MakeRLinkerUtils
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Class MakeRLinkerUtils

Utility functions for use with make_r_linker_sqlite().

Static Methods [hide private]
 
make_rl_st(r_st_orig, r_from_index, r_to_index, l_st_orig, l_from_index, l_to_index)
 
get_attachment_pair_list(from_index, pairlist)
 
write_r_linker_csv_and_mae(r_linker_db_name, r_linker_fname_prefix, cur)
Write a csv dumping the contents of the r_linker DB and also a .mae file containing the structures.
 
make_r_linker_db(template_st, template_from_tos, linker_db_name, r_linker_db_name, rules, conn, cur, verbose=False)
Create and fill the r-linker tables in the DB that conn and cur connect to.
Method Details [hide private]

write_r_linker_csv_and_mae(r_linker_db_name, r_linker_fname_prefix, cur)
Static Method

 

Write a csv dumping the contents of the r_linker DB and also a .mae file containing the structures. This is for testing and debugging.

make_r_linker_db(template_st, template_from_tos, linker_db_name, r_linker_db_name, rules, conn, cur, verbose=False)
Static Method

 

Create and fill the r-linker tables in the DB that conn and cur connect to. If verbose is True, print copious output.


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2016-4 Schrodinger Python API
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