Classification methods allow for the development of structure− activity relationship models
when the target property is categorical rather than continuous. We describe a classification …

The Rosetta software for macromolecular modeling, docking and design is extensively used
in laboratories worldwide. During two decades of development by a community of …

MAIN is software that has been designed to interactively perform the complex tasks of
macromolecular crystal structure determination and validation. Using MAIN, it is possible to …

The CCP4 (Collaborative Computational Project, Number 4) software suite is a collection of
programs and associated data and software libraries which can be used for macromolecular …

Publisher Summary The software packages SOLVE and RESOLVE comprise a suite for an
automated structure solution using multiple isomorphous replacement (MIR) …

We present here the automated structure solution pipeline “autoSHARP.” It is built around
the heavy-atom refinement and phasing program SHARP, the density modification program …

Exploring Chemical Analysis provides an ideal one-term introduction to analytical chemistry
for students whose primary interests generally lie outside of chemistry. Combining coverage …

An account is given of the development of the SHELX system of computer programs from
SHELX-76 to the present day. In addition to identifying useful innovations that have come …