Program development environment

Large scientific programs utilize computing resources in a way that makes difficult adaption to current PC systems. These characteristics include  

A large program space requiring virtual memory. 

Program structures that include thousands of subroutines, tens of thousands of variables, and creation of very large data arrays. 

Few new scientific programming projects choose FORTRAN over more transportable and structured C language, but as a result of the millions of lines of existing FORTRAN code, many current projects retain large pieces of FORTRAN. 

---

All programs are intended to be run as application on a PC using the Windows operating system (XP or later). The code was written in FORTRAN 90/95 and compiled with the INTEL Visual FORTRAN compiler integrated in the Microsoft Visual Studio Developer Environment. 

Table VII illustrates the entry format for the carboxamide fragment. Measurements from a number of solutes have established the values for many of its bond environments and its susceptibility to proximity effects. Table VIII shows the fragment data for N-oxy-urea. It is immaterial which direction the operator chooses to enter the fragment structure, because the program develops a unique sequence for fragments just as it does when dealing with complete structures. Of course the operator must use care to associate the correct bonding designations with the appropriate data. Two calculations using this fragment will serve to illustrate some features of the program.

SCAMPI (Statistical Classification of Activities of Molecules for Pharmacophore Identification) is a program developed in C language by Chen et al. [104]. According to the authors, it allows the use of datasets of approximately 1000-2000 compounds. The SCAMPI program s implementation has been done to allow users to visualize the molecules and the generated pharmacophores in the Sybyl environment. 

Program development takes place in a separate environment from the use of validated... 

First we discuss VBA, a powerful development environment used directly from within the Microsoft Office suite of programs. Typically, Word or Excel is most frequently used, since many LIMS and instrument software directly export reports in these formats. One of the primary advantages with VBA is the rich, intuitive object model that is provided by each of the Microsoft Office applications. The implementation of VBA as a cost-effective and first-line approach to data automation in drug discovery has been reported [76]. Bisset s book entitled Practical Pharmaceutical Automation contains many examples of Excel VBA in the laboratory setting [67]. 

The specification and generation of structured programs is not feasible without access to a certsun minimum of program development tools. By far the best working environment available to software developers at this time is Unix together with the excellent tools from the Free Software Foundation and the associated aficionados The very minimum requirements are ... 

As its name suggests. Visual Basic is a highly visual tool. This implies not only that the development environment is GUI-based but also that the tool allows you to design a program s user interface by placing components directly onto windows and forms. This significantly reduces development time. Figure 1 provides a snapshot of the Visual Basic development environment. 

---