Utility command-line

Babel (we tested Version 1.6) is a utility for converting computational chemistry input hies from one format to another. It is able to interconvert about 50 different hie formats, including conversions between SMILES, Cartesian coordinate, and Z-matrix input. The algorithm that generates a Z-matrix from Cartesian coordinates is fairly simplistic, so the Z-matrix will correctly represent the geometry, but will not include symmetry, dummy atoms, and the like. Babel can be run with command line options or in a menu-driven mode. There have been some third-party graphic interfaces created for Babel. 

The hierarchical code organization is illustrated in Fig. 18.3. This is by code series and then individual codes. ADAS provides extensive Fortran and IDL subroutine libraries which are available for use in a user s own codes and analysis programs. The IDL subroutines support the user s interface to interactive ADAS and graphical presentation of results. Modular basic atomic calculation routines, utilities and access routines to the ADAS data classes are mostly provided in Fortran but generally with IDL versions which use the Fortran through C wrappers. In particular reaEadf .pro and run-adas.pro IDL procedures give access to ADAS data or run ADAS codes at the IDL command line - independent of interactive ADAS. The libraries now include 700 subroutines. 

As of this writing, DOS 6.22 is the most current MS-DOS version available as a stand-alone operating system. Microsoft has included certain DOS-style command line utilities for use within Windows 95, Windows NT and Windows 2000, but these are actually Windows programs that simply mimic the familiar, old command-prompt environment of DOS. 

We will look at a number of graphical utilities in the next few chapters and, believe it or not, the command prompt is one of them. Although you can t tell from looking at it (see Figure 12.20), the crazy thing about the Windows command prompt is that it is actually a 32-bit Windows program that is intentionally designed to have the look and feel of a DOS command line ... 

Windows includes a number of command-line utilities. Among these is the IPCON FIG utility of Windows 2000. If you are running Windows 2000, this is the utility that allows you to check on the TCP/IP settings of the machine. (TCP/IP is the protocol which allows networked computers to use the Internet, and as such is something you will probably see a lot of. It will be discussed further in Chapter 18, Configuring Network Software. )... 

Although it is technically possible to simply use the command-line utilities provided within the command prompt to manage your files, this generally is not the most efficient way to accomplish most tasks. The ability to use drag-and-drop... 

Simply insert the floppy you made into your floppy drive and boot to it. This startup disk will create a small, virtual disk drive (usually labeled D or something similar) with all the repair utilities installed on it. You can then use these utilities to repair the disk or files. Additionally, since you are booted up to a command line, you can copy new files over old, corrupt ones, if necessary. 

IPCONFIG Does the same thing as WINIPCFG, but for Windows NT and 2000. IPCONFIG is also different in that it is a command-line utility. 

Which Windows 98 command-line utility is used to delete files and directories, even if the subdirectories contain additional files ... 

Wliat command-line utility would you use to create a Windows NT Emergency Repair Disk ... 

For efficiency purposes, we need to put our FASTA-formatted sequences into another format. The author has developed a file format, the Sequence Database format (SDB), that allows for fast random access to multiple sequences stored in a single file. See Note 2b for descriptions of the command-line utilities available (as part of the Mercator distribution) for creating and accessing SDB files. We will use the fa2sdb utility to put our softmasked genomes into SDB format. 

A Pipeline Pilot deployment includes a number of integration components that provide facilities to create a new component to capture a simple command line, or by coding up new functionality in Perl or Python scripts or in Java code, using a component API. To utilize network resources, the user can also configure telnet, ftp, or SOAP components. SOAP components can execute in a multithreaded fashion to parallelize the use of remote servers. 

Several utility functions are discussed in Chapter 13 that can be used from the linux command line. These are molgrep, molcat, molview, molarb, molrandom,andmolnear. They operate on tables named structure that contain columns of SMILES, fingerprints, and names. Schemas containing tables like these can be created using the smiloader and sdf loader functions described in the next section. This section lists the shell script that defines the molgrep and other commands. 

GNUPLOT (www.gnuplot.info) a command-line-driven interactive data and function plotting utility (for PC). 

General Considerations 1 Location of people relative to the unit 2 Location of critical systems 3 Dominant wind direction 4 Climate and weather extremes earthquake, flooding, windstorms 5 Site topography 6 External hazards or threats (fire/explosion/toxic release from nearby process or facility aircraft subsidence sabotage) 7 Traffic flow patterns and clearances from process vessels and lines 8 Security and reliability of all critical feeds and utilities 9 Command center and alternate command center locations 10 Evacuation routes, emergency exits, safe rally spots... 

Whiskers can be easily mixed with powders and processed as such. Composites are formed with metal (utilization in automobile construction e.g. pi.stons of whisker-reinforced aluminum), ceramic or polymer matrices for frictional applications (e.g. brake and clutch linings). Small quantities command prices of 1500 to 2000 DM/kg. For larger quantities prices of 100 to 150 DM/kg are expected. 

Open the pulse program ppexamS.seq using the Edit I Pulse program command and replace p2 by p1 2 and place the simultaneous pulses p1 / p4 and p2 / p5 on the same line as shown below. Save the file as ppexamS.seq us ng File Save as. Using the command Utilities I Show pulse program... compare the pulse program scheme with the scheme from Check it 4.1.2.8(a). 

Edit the pulse program ppexam6.seq and change the expression (p1 phi) f1 to include the delay d2 (pi phi d2) f1. Delete d2 on the following line. Save the modified file as ppexamV.seq and using the command Utilities I Show pulse program... compare the new pulse sequence with the "literature" pulse sequence. 

A plot of [tf"] (V + Vg) vs. Vg will give a straight line intersecting the V axis at Vg = Vg. Two important advantages result (1) the values of Vg used in the titration do not have to be close to the equivalence point. Time is saved when it is not necessary to make careful, drop-wise additions in the vicinity of the equivalence point and (2) the line can be most accurately defined by use of the linear regression command /TAR /AR /DAR. The increase on precision of Vg is a direct consequence of the utilization of all of the titration data, not merely the few points taken close to the equivalence point, as is the case in the conventional titration. 

---