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Brief Overview and Evaluation of Available Software

The reliability of scientific work based on computer-generated 3D structures requires a careful evaluation of available 3D generators to find the program best [Pg.175]

Programs. CONCORD version 6.1.0 and CORINA version 3.4 were used for this study. CONCORD was run with the following ophons  [Pg.176]

GORINA was run with the -d r2d ophon in order to remove structures without generated 3D coordinates from the output. [Pg.177]

Results. Table 7.1 summarizes the results of the evaluation study obtained for CONCORD and CORINA. None of the programs crashed or produced any stereo errors. CORINA had a conversion rate close to 100%, whereas CONCORD converted only 91%. However, CONCORD was faster than CORINA with an average [Pg.177]

2 Percentage of structures with an RM S deviation of the nonhydrogen atoms less than 0.3 A. [Pg.177]


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