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| author |   Petr Vaněk <arkamar@atlas.cz> | 2022-10-19 10:37:47 +0200 |
|---|---|---|
| committer |   Sam James <sam@gentoo.org> | 2022-10-20 04:52:29 +0100 |
| commit | b7665bb91e0666a786d0fe9f96282e0b0671e951 (patch) | |
| tree | 0a00c5dc3dc558493840e1d6fa711779b607f1e9 /sci-chemistry/pdbmat | |
| parent | sci-chemistry/pdbcat: align longdescription opening and closing tags (diff) | |
| download | gentoo-b7665bb91e0666a786d0fe9f96282e0b0671e951.tar.gz gentoo-b7665bb91e0666a786d0fe9f96282e0b0671e951.tar.bz2 gentoo-b7665bb91e0666a786d0fe9f96282e0b0671e951.zip | |
sci-chemistry/pdbmat: align longdescription opening and closing tags
Signed-off-by: Petr Vaněk <arkamar@atlas.cz>
Signed-off-by: Sam James <sam@gentoo.org>
Diffstat (limited to 'sci-chemistry/pdbmat')
| -rw-r--r-- | sci-chemistry/pdbmat/metadata.xml | 26 |
1 files changed, 13 insertions, 13 deletions
diff --git a/sci-chemistry/pdbmat/metadata.xml b/sci-chemistry/pdbmat/metadata.xml index 3186389b9279..d9ad115f4e77 100644 --- a/sci-chemistry/pdbmat/metadata.xml +++ b/sci-chemistry/pdbmat/metadata.xml @@ -6,19 +6,19 @@ <name>Gentoo Chemistry Project</name> </maintainer> <longdescription> -A fortran program in which Tirion's model (also called the Elastic Network -Model) is implemented. Within the frame of this model, atoms (particles) -less than cutoff (angstroms) away from each others are linked by springs of -same strength. Alternatively, a list of interacting atoms can be given to the -program. -Requirements: a file with the coordinates of the system, in PDB (Protein Data -Bank) or "x y z mass" format. + A fortran program in which Tirion's model (also called the Elastic Network + Model) is implemented. Within the frame of this model, atoms (particles) + less than cutoff (angstroms) away from each others are linked by springs of + same strength. Alternatively, a list of interacting atoms can be given to the + program. + Requirements: a file with the coordinates of the system, in PDB (Protein Data + Bank) or "x y z mass" format. -Output: the hessian (the mass-weighted second derivatives of energy matrix), -in the "i j non-zero-ij-matrix-element" format. + Output: the hessian (the mass-weighted second derivatives of energy matrix), + in the "i j non-zero-ij-matrix-element" format. -Diagstd, a fortran program with a standard diagonalization routine, can next -be used in order to obtain the corresponding normal modes of the system. If -the system is large, the RTB approximation can prove usefull (see below). -</longdescription> + Diagstd, a fortran program with a standard diagonalization routine, can next + be used in order to obtain the corresponding normal modes of the system. If + the system is large, the RTB approximation can prove usefull (see below). + </longdescription> </pkgmetadata> |