[xcrysden] Missing /.xcrysden folder and mpeg_encode failure
Tone Kokalj
tone.kokalj at ijs.si
Fri Sep 9 21:14:53 CEST 2022
On Wed, 2022-09-07 at 15:02 +0000, markus.becker85 at outlook.de wrote:
> Hello,
>
> I installed xcrysden 1.6.2 and tried to create an mpeg movie from
> pw.x output. However, during installation I recognized that the hided
> /.xcrysden folder is not existent.
The ~/.xcrysden directory is not created during installation.
Make it manually and copy the custom-definitions file into it (it is
located in the Tcl/ subdirectory of xcrysden; for convenience, it is
also attach here). Then edit it as you find fit.
Regards, Tone
--
Jožef Stefan Institute, Ljubljana, Slovenia
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# ------------------------------------------------------------------------
# Printing options ...
#
# if "Print To File" produces blank images, uncomment the line below
# (i.e. use screen-dump instead):
# ------------------------------------------------------------------------
#set printSetup(dumpWindow) 1
# ------------------------------------------------------------------------
# Options for OpenGL display
#
# If you experience "X Error of failed request:" crashes, set the
# toglOpt(accum) to false.
#
# N.B. for all possible options of toglOpt(option) see file
# $XCRYSDEN_TOPDIR/Tcl/toglOpt.tcl
# ------------------------------------------------------------------------
#set toglOpt(accum) false
#set toglOpt(stereo) none
# ------------------------------------------------------------------------
# do we have CRYSTAL package
# ------------------------------------------------------------------------
set system(c95_exist) 0
# ------------------------------------------------------------------------
# CRYSTAL modules
# ------------------------------------------------------------------------
#set system(c95_integrals) /home/tone/src/CRYSTAL03/bin/Linux-pgf/v1_0_2/crystal
#set system(c95_scf) /home/tone/src/CRYSTAL03/bin/Linux-pgf/v1_0_2/crystal
#set system(c95_properties) /home/tone/src/CRYSTAL03/bin/Linux-pgf/v1_0_2/properties
# ------------------------------------------------------------------------
# xcrysden can use several encoder programs for creating animated GIF
# (convert, gifsicle, whirlgif) and AVI/MPEG movies
# (mencoder/ppmtompeg)
# ------------------------------------------------------------------------
#set xcMisc(gif_encoder) convert
#set xcMisc(movie_encoder) mencoder
# ------------------------------------------------------------------------
# NOTICE: Starting from version 1.5, xcrysden tries to automatically
# find various external packages, nevertheless user can still set
# them explicitly, as shown below (if you want to do so, uncomment
# corresponding lines)
# ------------------------------------------------------------------------
# ------------------------------------------------------------------------
# An image conversion program: we need PPM to PNG/JPG/GIF/... conversion.
# The "convert" program of ImageMagick (http://www.imagemagick.org/) is
# a convenient choice.
#
# It is possible to specify the command-line options. For example:
#
# set xcMisc(ImageMagick.convert) "/usr/bin/convert \
# -quality 90 -border 3x3 -bordercolor black"
#
# Instead one can also use something like:
#
# set xcMisc(ImageMagick.convertOptions) "-quality 90 -antialias \
# -blur 1x1 -trim -bordercolor white \
# -border 20x20 -bordercolor black -border 3x3"
# ------------------------------------------------------------------------
#set xcMisc(ImageMagick.convert) "/usr/bin/convert"
#set xcMisc(ImageMagick.convertOptions) "-quality 90 -bordercolor black -border 3x3"
# ------------------------------------------------------------------------
# With "gifsicle" program XCRYSDEN can create an Animated-GIF image
# ------------------------------------------------------------------------
#set xcMisc(gifsicle) /usr/bin/gifsicle
# ------------------------------------------------------------------------
# PPMTOMPEG for creating the MPEG movies
# ------------------------------------------------------------------------
#set xcMisc(ppmtompeg) /usr/bin/ppmtompeg
# ------------------------------------------------------------------------
# BABEL program
# ------------------------------------------------------------------------
#set xcMisc(babel) /home/tone/bin/babel
# this is the same as environmental BABEL_DIR variable. Note: if
# BABEL_DIR is defined, then this is not needed!!!
#set xcMisc(babel_dir) $env(HOME)/lib/babel
# ------------------------------------------------------------------------
# Custom setting of the atomic radii. The syntax is:
# ------------------------------------------------------------------------
# set atmRad(atomic_number) radius
#
# Example:
#
# set atmRad(1) 0.5; # custom radius for Hydrogen
# set atmRad(8) 1.2; # custom radius for Oxygen
# ------------------------------------------------------------------------
# ------------------------------------------------------------------------
# Custom setting of the atomic colors. The syntax is:
# ------------------------------------------------------------------------
# set atmCol(atomic_number) {red gren blue}
#
# The components (red,gren,blue) must be in range [0,1]
#
# Example:
#
# set atmCol(1) {0.5 0.5 0.5}; # custom color for Hydrogen
# set atmCol(8) {0.0 1.0 0.0}; # custom color for Oxygen
#
# ------------------------------------------------------------------------
#------------------------------------------------------------------------
# Turn-on old atomic colors (colors prior to xcrysden v-1.6)
#------------------------------------------------------------------------
#xc_oldatmcol
#------------------------------------------------------------------------
# -------------------------------------------------------------------------
# Custom setting for a variety of molecular display parameters, such as
# ball-factors, specefill scale factors, tessellation factors, etc.
#
# Below are the default values. If you would like to change the
# default for a particular parameter, then uncomment the appropriate
# line and set the value according to your needs.
# ------------------------------------------------------------------------
## spacefill scale factor
#set myParam(ATRAD_SCALE) 1.40
#
## tesselation factor
#set myParam(TESSELLATION) 15.0
#
## RGB color of unibonds (each compoenent must be within [0,1])
#set myParam(UNIBONDCOLOR) {1.00 1.00 1.00}
#
## Perspective Fovy, Front and Back parameters. The smaller the Fovy
## the larger the perception of perspective. Front and Back parameters
## determine the front and back clipping planes. The smaller the Back
## parameter the more the structure is clipped from the back side. The
## Front parameter is counter-intuitive, meaning the smaller it is the
## more the structure is clipped from the front side.
#
#set myParam(PERSPECTIVEFOVY) 2.5
#set myParam(PERSPECTIVEFRONT) 0.65
#set myParam(PERSPECTIVEBACK) 3.0
#
## ball-factor
#set myParam(BALLF) 0.4
#
## rod-factor
#set myParam(RODF) 0.6
#
## line-width of wireframe display-mode (in pixels)
#set myParam(WFLINEWIDTH) 1
#
## line-width of pointline display-mode (in pixels)
#set myParam(PLLINEWIDTH) 1
#
## line-width of crystal cell's frames
#set myParam(FRAMELINEWIDTH) 1
#
## Lighting-Off outline width
#set myParam(OUTLINEWIDTH) 1
#
## Lighting-On wire line width
#set myParam(WF3DLINEWIDTH) 1
#
## point-size of pointline display-mode (in pixels)
#set myParam(PLRADIUS) 6
#
## chemical connectivity factor
#set myParam(COV_SCALE) 1.05
#
## RGB color of crystal frame (each compoenent must be within [0,1])
#set myParam(FRAMECOL) {0.88 1.00 0.67}
#
## line-width of crystal frame
#set myParam(FRAMELINEWIDTH) 1
#
## rod-factor of crystal frame
#set myParam(FRAMERODF) 0.1
#
## RGB background of XCRYSDEN display window
## (each compoenent must be within [0,1])
#set myParam(BACKGROUND) {0.00 0.00 0.00}
#
## maximum number of cells per direction for CRYSTALs
#set myParam(CRYSTAL_MAXCELL) 10
#
## maximum number of cells per direction for SLABs
#set myParam(SLAB_MAXCELL) 20
#
## maximum number of cells for POLYMERs
#set myParam(POLYMER_MAXCELL) 50
#
## default atomic-label's font (in X11 XLFD format)
#set myParam(ATOMIC_LABEL_FONT) -adobe-helvetica-medium-r-normal--12-120-75-75-p-67-iso8859-1
#
## default atomic-label's bright and dark color (in clamped-float RGB format)
#set myParam(ATOMIC_LABEL_BRIGHTCOLOR) {1.0 1.0 0.0}
#set myParam(ATOMIC_LABEL_DARKCOLOR) {1.0 0.0 0.0}
#
#
## this are the parameters for the "ppmtompeg" program:
##--BEGIN::
#set myParam(MPEG_ENCODE_PARAM_FILE) {
#PATTERN IBBPBBPBBPBBPBBP
#OUTPUT $output_file
#BASE_FILE_FORMAT PPM
#INPUT_FORMAT UCB
#$input_convert
#GOP_SIZE 16
#SLICES_PER_FRAME 1
#INPUT_DIR /
#INPUT
#$input_files
#END_INPUT
#PIXEL FULL
#RANGE 10
#PSEARCH_ALG LOGARITHMIC
#BSEARCH_ALG CROSS2
#IQSCALE 8
#PQSCALE 10
#BQSCALE 25
#REFERENCE_FRAME ORIGINAL
#BIT_RATE 1000000
#BUFFER_SIZE 327680
#FRAME_RATE 30
#}
##--END
#
# ------------------------------------------------------------------------
# ------------------------------------------------------------------------
#
# Custom settings for FERMI-SURFACE-VIEWER
#
# ------------------------------------------------------------------------
## RGB background of Fermi Viewer (each of r,g,b components must be within [0,1])
#set myParam(FS_BACKGROUND) {0.0 0.0 0.0}
## the type of the cell: bz | para
#set myParam(FS_CELLTYPE) bz
## do we crop the BZ: 1 or 0
#set myParam(FS_CROPBZ) 1
## display type for the cell: none | wire | solid | solidwire
#set myParam(FS_CELLDISPLAYTYPE) wire
## draw style for the Fermi-surface: solid | wire | dot
#set myParam(FS_DRAWSTYLE) solid
## draw transparent Fermi Surface: 0 | 1
#set myParam(FS_TRANSPARENT) 0
## shade model for Fermi surface: smooth | flat
#set myParam(FS_SHADEMODEL) smooth
## set the interpolation (should be small integer number, e.g., 1 2 3
#set myParam(FS_INTERPOLATIONDEGREE) 1
## what is the frontface of the surface: CW or CCW
#set myParam(FS_FRONTFACE) CW
## revert the normals of Fermi surface (determines the outside surface): 0 | 1
#set myParam(FS_REVERTNORMALS) 0
## color of the wire-cell (each of r,g,b,a components must be within [0,1])
#set myParam(FS_WIRECELLCOLOR) {1.00 0.00 1.00 1.00}
## color of the solid-cell (each of r,g,b,a components must be within [0,1])
#set myParam(FS_SOLIDCELLCOLOR) {0.00 0.95 0.95 0.40}
## use antialiaing: 0 | 1
#set myParam(FS_ANTIALIAS) 0
## use depth cuing: 0 | 1
#set myParam(FS_DEPTHCUING) 0
# END of settings for FERMI-SURFACE-VIEWER
# ------------------------------------------------------------------------
# ------------------------------------------------------------------------
# Here go custom user-specified options
# ------------------------------------------------------------------------
# In order to add an --unknown option to the Xcrysden allowed options,
# do the following
#
# Usage:
# addOption option converterProgram description
#
# Arguments:
# option ... option to add to XCRYSDEN options
# converterProgram ... program that converts from an unknown to XSF format;
# this program must be supplied by the user !!!
# description ... description of the options that will appear in the
# help message (i.e. xcrysden --help).
# Example:
# addOption --unknown /home/tone/utils/unknown2xsf {
# load structure from unknown file format
# }
#
# turn debugging off
set xcMisc(debug) 0
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