Graphics objects and items (ITMADM)

Introduction.

Whenever you activate an option that should put something at the graphics screen WHAT IF will prompt you for a MOL-object number and a MOL-item name. MOL-objects can range from 1 till 8. A MOL-object itself can only hold MOL-items. MOL-items can hold lines or dots, and on some hardware also solids. MOL-objects exist to be able to group MOL-items. When you want to manipulate MOL-items, you should know their name. You are therefore strongly suggested to always use clear and unique names for MOL-items

See the commands ALLFIL, LINFIL or DOTFIL if you want to use self made MOL-items. These commands can be used to read formatted MOL-item files.

See the command SIMPLE if you want to avoid having to think about MOL-objects and MOL-items.

Removing objects

Remove all objects (GRAINI)

The command GRAINI removes all MOL-objects and all MOL-items in them from the screen. You can only get the MOL-items back with the GETITM and the GETITS commands. This option is 100% identical to the INIGRA option in the GRAFIC menu.

Remove one object (OBJINI)

The command OBJINI will cause WHAT IF to prompt you for the number of a MOL-object. Give a number between 1 and 8. The MOL-object will be removed from the screen. This option is 100% identical to the INIOBJ option in the GRAFIC menu.

Toggle an item off (ITMOF)

The command ITMOF will prompt you for a MOL-item. You should then type the name of the MOL-item as you have given it upon creation. (If you forgot the name, you can use the LSTITM option to get a MOL-item directory). The MOL-item will then be toggled off. If the MOL-item was already off, nothing will happen. Use DELITM to completely remove a MOL-item.

Toggle an item on (ITMON)

The command ITEMON will prompt you for a MOL-item. You should then type the name of the MOL-item as you have given upon creation. (If you forgot the name, you can use the LSTITM option to get a MOL-item directory). The MOL-item will then be toggled on again in case it was toggled of with the ITEMOF command. If the MOL-item was already on, nothing special will happen.

Toggle an object off (OBJOFF)

The command OBJOFF will prompt you for a MOL-object. You should then give a MOL-object number from 0 till 8. The MOL-object will be toggled off. If the MOL-object was already off, nothing will happen. Use -1 to switch all objects off. Use a non-existent MOL-object number to escape from this option. Use INIGRA to completely remove a MOL-object.

This option is mainly meant for scripts because you can much more easily toggle MOL-objects on and off with the MOL* buttons at the bottom of the screen.

Toggle an object off (OBJON)

The command OBJON will prompt you for a MOL-object. You should then give a MOL-object number from 0 till 8. The MOL-object will be toggled on. If the MOL-object was already on, nothing will happen Use -1 to switch all objects on. Use a non-existent MOL-object number to escape from this option.

This option is mainly meant for scripts because you can much more easily toggle MOL-objects on and off with the MOL* buttons at the bottom of the screen.

Get a directory of MOL-items (LSTITM)

The command LSTITM gives you an index of all presently available MOL-items, regardless of their status. You should be aware however that these are the MOL-items WHAT IF presently knows about. There might be many more MOL-items on disk. You can use $ls *.WPL to see really all MOL-items that are available as file on disk. You can use GETITM to get MOL-items from disk into WHAT IF's memory. You can only plot MOL-items if their corresponding *.WPL files still exist in the local directory. So, do not throw these files away to quickly...

Deleting a MOL-item (DELITM)

The command DELITM will prompt you for a MOL-item name. You should then type the name of the MOL-item as you have given upon creation. (If you forgot the name, you can use the LSTITM option to get a MOL-item directory). The MOL-item will then be removed from WHAT IF's MOL-item memory, and from the screen. You can retrieve deleted MOL-items with the GETITM command.

Moving a MOL-item around at the screen (MOVITM)

The command MOVITM will prompt you for a MOL-item. You should then type the name of the MOL-item as you have given upon creation. (If you forgot the name, you can use the LSTITM option to get a MOL-item directory). The MOL-item will be stored in the so-called FBRT object. You can now rotate and translate this MOL-item with respect to the rest of the items at the screen. You can finish manipulating the item by picking either NO or YES. If you pick NO, the item will be moved back to the old position. Picking YES will cause WHAT IF to accept the new position. Both after picking YES or NO, you will be prompted for the name of a MOL-item and a MOL-object. This will then become a completely new MOL-item. You may however give the same name as before the moving operation.

You need to use special combinations of mouse buttons to move the MOL-item that is put in the so-called FBRT object). Since a mouse has only three keys, the following has been done:


Manipulations of the world view:

       Mouse motion                       What happens at the screen

LEFT mouse button horizontal motion   (L-H) = rotation around Y
LEFT mouse button vertical motion     (L-V) = rotation around X
MIDDLE mouse button horizontal motion (M-H) = translation along X
MIDDLE mouse button vertical motion   (M-V) = translation along Y
RIGHT mouse button horizontal motion  (R-H) = scaling
RIGHT mouse button vertical motion    (R-V) = slabbing

Combinations:
LEFT + MIDDLE horizontal motion     (L+M-H) = rotation around Z
LEFT + MIDDLE vertical motion       (L+M-V) = translation along Z

Manipulations of FBRT, MOVE or MOVITM objects:

       Mouse motion                       What happens at the screen

LEFT + RIGHT horizontal motion      (L+R-H) = object rotation Y
LEFT + RIGHT vertical motion        (L+R-V) = object rotation X
MIDDLE + RIGHT horizontal motion    (M+R-H) = object translation X
MIDDLE + RIGHT vertical motion      (M+R-V) = object translation Y
ALL THREE horizontal motion       (L+M+R-H) = object rotation Z
ALL THREE vertical motion         (L+M+R-V) = object translation Z

Additionally, the left and the right mouse button both can be used for picking.

Apply MOVITM matrix to part of the soup (APLSOU)

After the command MOVITM you have a transformation matrix available to apply to the soup. This is not a normal transformation because the human brain wants the rotation of an object always about the same part of that object. If you think about it, you will realize that this transformation must therefore consist of a matrix and two vectors instead of one vector. However, the result is that this matrix can not be interchanged with for example symmetry matrices or the suppos matrix.

Retrieving a MOL-item from disk (GETITM)

The command GETITM will prompt you for the name of a MOL-item. You can now give the name of any MOL-item you want. MOL-items presently known to WHAT IF, as well as old MOL-items which just happen to be on disk are acceptable. (Use $ls *.WPL to get a list of the presently available files; the part of the file name before the .WPL in the MOL-item name). This MOL-item will be read in, and you will then be asked for the number of the (new) MOL-object and the name of the (new) MOL-item. This second name will be the new name, for which you can choose every name you want, but preferably a name not yet in use by WHAT IF. So if you have MOL-item A already in use, and you read the MOL-item S using the command GETITM S, you are allowed to give B, or S, or A, etc., but although not impossible, it is wise not to use S or A.

Retrieving a MOL-item from disk (GETITS)

The command GETITS will repeatedly prompt you for the name of a MOL-item. You can now give the name of any MOL-item you want. Both MOL-items known to WHAT IF, and old MOL-items which just happen to be on disk somewhere are acceptable. These MOL-items will be read in and combined into one big MOL-item. After entering zero (to indicate that you do not want to read any more MOL-items) you will then be asked for the name of the combined MOL-item. This name will be the new name, for which you can choose every name not yet in use by WHAT IF. So if you have MOL-item A already in use, and you read the MOL-item S using the command GETITM S, you are allowed to give B, or S, or A, etc., but although not impossible, it is wise not to use S or A.

Make a formatted file out of a MOL-item (MAKITM)

The command MAKITM will cause WHAT IF to prompt you for the name of a MOL-item, and for a file name. The vectors in the MOL-item will be written formatted (=human readable) in that file. One graphics vector of six coordinates will be given per line. Three coordinates for the begin point of the vector, and three for the end point. The seventh number on each line is the colour of the vector. A file made with the MAKITM command can be used as input to the LINFIL command in the GRAEXT menu.

Removing the working model (MODLOF)

Often WHAT IF automatically puts residues at the screen; for example after a mutation, after refinement, after debumping, etc. If you want to get rid of these automatic residues you can use the command MODLOF. Alternatively you can toggle the working model on/off using the MODEL button in the menu at the bottom of the screen.

This option is 100% identical to the NOMODL option in the GRAFIC menu.

Other options

(ITEMON)

ITEMON is the classical way of writing ITMON.

(ITEMOF)

ITEMOF is the classical way of writing ITMOF.