CAMSEQ batch

The preceeding discussion has briefly described the potential functions and geometry determination algorithms employed in CAMSEQ and particularly in CAMSEQ/M. The "batch" version of CAMSEQ currently in use is totally compatible with CAMSEQ/M. CAMSEQ/M can be interfaced (via a communications link) to a host computer for more lengthy calculations where speed is a requirement (rather than economy). 

Since CAMSEQ/M has been designed to be totally compatible with the "batch" versions of CAMSEQ, additional options are provided which are appropriate for that version of the program. 

A total of 50 options are available. The advantage of having total compatibility with the batch CAMSEQ is that CAMSEQ/M may be used either as a "stand-alone" conformational analysis device, or it may be used as an interactive, conversational, off-line input device for batch CAMSEQ. Since an available host computer would probably perform the calculations more rapidly than the Tektronix microcomputer, this provides an easy to use batch program interface when results are needed "immediately". 

Based on the options specified, CAMSEQ/M may request additional information regarding the energy parameters to use, the solvent environments to be simulated, and other pertinent information regarding the conformational analysis to be performed. The user is then given the opportunity to assemble a batch CAMSEQ data set to be sent to an alternate computer. This feature assembles all data accumulated into the form of a CAMSEQ run deck and saves the information on a disk file. Alternatively, CAMSEQ/M begins the conformational analysis task, saving rotational and energy information on a disk file. 

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