X-GEN Manual, Section 5 XXPLOR (X-PLOR 3.1 input format) File Formats

XXPLOR is an ascii file containing merged intensity information, written in a format that should be readable into the now-outdated X-PLOR V. 3.1 suite. X-GEN's scalem and makemu functionalities write this format, along with several other formats.

The XXPLOR file has no header: it simply contains a list of reflections. Thus it may need to be edited slightly in order to input it into X-PLOR 3.1. The format of each line is similar but not identical to that of the XCNS file. Each line contains the reflection indices, an observed intensity, and an observed sigma; alternatively, it can contain the reflection indices, the observed structure amplitude, and the observed sigma of that structure amplitude. Thus the first four lines of one of these files might be

The beginning of one of these files looks like this:

INDEx    0   -2   -5 IOBS   240.10 SIGMa     8.04
INDEx    0   -2   -6 IOBS   564.00 SIGMa    14.21
INDEx    0   -2   -7 IOBS  1396.22 SIGMa    24.23
INDEx    0    3    6 IOBS  8508.29 SIGMa   140.18

Note:

Given the antiquity of X-PLOR V.3.1, this format may disappear in a subsequent release of X-GEN.

Usage: $WORK/<idname>.xxp
Written from: scalem and makemu.
Read in: X-PLOR V.3.1, by Axel Brünger

Report bugs to Andy Howard at howard@iit.edu or 312-567-5881.