ee

Call number
02-711-3631/3
Fax
02-711-3632
Time
평일 09:00 ~ 18:00
토요일,일요일,공휴일 휴무 호스팅사업자:https://www.cafe24.com/
smhan@sigmasoft4u.com
국민은행 600201-01-055965
예금주 : 한상민(시그마소프트)
   현재위치 : HOME > 연구용소프트웨어
 
 
Diamond
판매가격 : [전화문의]
원산지 : Germany
제조사 : Crystal Impact
제품선호도 : 제품 평가 전 입니다.
무이자할부 :
▒ 주문수량 :
 

Diamond Function List

Please note: Functions that are new in version 4 - as compared with version 3.x - or have been enhanced significantly are emphasized. For functions that have been added to minor updates 4.x, have a look on the "New Functions..." link on the left side.
  • 32 Bit MS Windows application with Multiple Document Interface (MDI), object-oriented menus, toolbars and local popup-menus. Allows 'simultaneous' handling of multiple structures.



    Input and Output:

  • Proprietary binary Diamond 3/4 Document format (extension .diamdoc) :
    • Supports both crystal and molecular structures (i.e. with and without translational symmetry).
    • Storage of multiple structure data sets in a document, each with:
      • atomic parameters,
      • cell parameters and space-group (optional),
      • anisotropic displacement parameters,
      • connection parameters (bonds, H-bonds, non-bonding contacts)
      • chemical and bibliographic data (author, reference, database origin, etc.).
    • Supports multiple structure pictures for a structure data set. Saves your own built-up and designed frameworks of crystal structures.
    • Compatible with Diamond 2 format (DSF).
  • Number of atoms, bonds, polyhedra etc. limited only by RAM.
  • Manual input or update of chemical, crystallographic, and bibliographic data.
  • Automatic import from data formats:
    • CRYSTIN download format created by ICSD or CRYSTMET
    • Cambridge Structural Database FDAT format.
    • Brookhaven Protein Data Bank format.
    • SHELX-93 format.
    • Crystallographic Information File (CIF).
    • XYZ format (free format with cartesian coordinates),
    • SYBYL MOL and MOL2 format,
    • Cerius2 (CSSR) format,
    • MDL MOL format.
  • Export of structure data to:
    • CIF,
    • SCHAKAL,
    • XYZ format.
  • POV-Ray assistant to create photo-realistic scenes with shadows, reflections, textures, background graphics, and more.
  • Export of structure picture's 3D world to VRML.
  • Export of structure picture's 2D graphics (for post-processing e.g. in a word processor or graphics application):
    • as Windows metafile (WMF, vector-oriented),
    • as bitmap (BMP; width, height and resolution user-defined),
    • as GIF, JPG, or PNG file, e.g. to link with an HTML document.
  • Cut, Copy, or Paste of data sets between documents (together with associated structure pictures). Enables creation of small "databases".
  • Search for chemical, crystallographic, or bibliographic data:
    • in files of selected types in selected directories,
    • in "Crystallography Open Database" (COD), including (amongst others) AMCSD ("American Mineralogist Crystal Structure Database") as well as CIF files from the IUCr journals, cf. "www.crystallography.net".
  • Configurable list of structure data sets in a document:
    • as table ("structure list")
    • or in collapsed form as "structure info bar".
  • Color coding to differentiate structure data sets in a document with multiple structures.
  • Thumbnail overview of structure pictures of a selected data set or of the whole document.
  • Recent picture list with thumbnails of last edited pictures/documents.
  • Data sheet for comprehensive or compact textual representation of structure data.
  • "Atom list": Hierarchical list of atoms in structure picture, groupes by atom sites and/or groups or by molecules.
  • Printing of selected datasets, data sheet, tables, or structure pictures. Textual copy of datasets via Windows clipboard for post-processing.
  • Export of data sheet and tables as HTML. 



    Construction:

  • Optional assistant that helps to create a structure picture from scratch or to modify a picture.
  • "Auto Picture Creator" - available in a docking window side-by-side with the structure picture - to interactively change picture building as well as picture design and viewing direction.
  • "Building schemes" (in Diamond 3 called "Auto-Builder") that create pictures automatically or according to a user-defined strategy. Useful when visualizing a lot of similar structures.
  • Conversion between "crystal" and "molecular" structures, i.e. adding or removal of cell and symmetry information.
  • Filling of unit cell, multiple cells, any cell range, or boxes or spheres around selected central atoms.
  • Filling of user-defined rectangular areas within the screen.
  • Filling of slabs along a plane (hkl or least-squares) or between a plane and the walls of the coordinate system.
  • Selection of atoms to construct sublattices ("Filter").
  • Creation (and discussion) of atomic environments, optionally from Dirichlet domains of the atom sites.
  • Discussion of connectivity assisted by histograms showing the distribution of distances between selected atom types and from the bond parameters, together with automatic calculation and checking of distance ranges.
  • Creation of bonds automatically, basing on connecitivity, or manually by inserting bonds between two atoms each.
  • Adding all atoms (and optionally bonds, H-bonds, contacts) of atomic parameter lists as well as from connection parameter lists.
  • Generation of atoms from parameter list serving as initial atoms for building up complex frameworks.
  • Completion of coordination spheres around selected atoms.
  • "Pump up": Generation of multiple spheres around selected atoms and its reversal ("shrink").
  • Automatic generation of molecules or completion of fragments which have e.g. been clipped at cell edges.
  • Definition of molecular units (from atomic parameter list).
  • Generation of molecules from molecular units at symmetry-equivalent positions.
  • Creation of molecular packings (parallelepiped, sphere, slab, or layer).
  • "Grow" and "cut: Expansion and reduction of polymers or molecular fragments.
  • Creation of "broken-off" bonds to signal infinitesimal chains, layers, or 3D-frameworks. Conversion between "broken-off" and normal bonds.
  • Definition of H-bond and non-bonding contact connectivity. Creation of H-bonds and contacts.
  • Expansion to neighbouring atoms or molecules via H-bonds and/or contacts to build up molecule clusters and reversal ("reduce").
  • Discussion of contact spheres and expansion or reduction of molecule clusters with the mouse wheel.
  • Cut, copy and paste of structural parts between structure pictures:
    • A fragment of a structure picture (or the whole picture) can be copied.
    • The copied fragment can be pasted into a blank or another picture of the same data set.
  • User-controlled dismantling of built-up frameworks.
  • Multiple-step Undo and Redo function (with picture thumbnails) to enable safe experimentation with even high-complicated and unknown structural frameworks.



    Visualization:

  • "Design schemes" (a kind of style sheets) containing picture design and viewing settings for quick-and-easy application to other structure pictures.
  • Layout modes:
    • Regular/window,
    • for printout, e.g. A4 page size with white background,
    • for creation of a bitmap with given x and y dimension and a resolution in dpi.
  • Variable zoom factor (enhances "Page view" mode of Diamond 2).
  • Models, assigned globally or individually to single or groups of atoms (allows mixing of different models in one and the same picture):
    • Ball-and-stick (regular),
    • ellipsoid,
    • space-filling,
    • sticks or wires (depending on bond radius).
  • Definition of views along special axes or toward special planes.
  • Central or parallel projection, depth cueing, and stereo display.
  • Photorealistic rendered models with user-defined light source and material properties (OpenGL).
  • Variation of colors, styles and radii of atom groups and bonds. Individual design of each single atom is possible.
  • Variation of atom and bond radii with mouse wheel.
  • ORTEP-like atom styles (ellipses, octants) in both flat and rendering mode.
  • Optionally fragmentated and two-colored bonds.
  • Labelling of atoms and bonds. User-defined text, can be placed at arbitrary position of picture.
  • Generation of coordination polyhedra:
    • Around central atoms of selected groups or around individually selected atoms,
    • built up from selected ligand atoms,
    • optionally with transparent or hatched surfaces.
  • Definition of (transparent) lattice planes and (best) planes or lines through selected atoms.
  • Adding of vectors to atoms to indicate e.g. a magnetic moment.
  • Alternative color differentation to visualize oxidation numbers, site occupation factors etc.
  • Full screen view (with window frame, menu, toolbars hidden).



    Animation:

  • Movement of structure picture:
    • Modes:
      • Rotation along x-, y-, and/or z-axis,
      • horizontal and/or vertical shift within drawing area,
      • variation of enlargement factor (from Angstroems to centimeters),
      • variation of camera distance (perspective impression).
    • Controlled by:
      • Mouse (the faster the mouse the faster the rotation etc.),
      • keyboard (e.g. one degree rotation per keystroke),
      • numerically (input through dialog).
    • Optional "Spin" function, i.e. acceleration of movement.
    • Continuous movement, which can be interrupted and continued.
  • "Grab mode": Arcball rotation of an atom under the mouse cursor. Shifting with the right mouse button pressed. Changing the enlargement factor with the mouse wheel.
  • Walk-through mode, enabling the camera/viewer to navigate through the structure picture. 
  • Recorder that helps to create video sequences, e.g. as AVI files.



    Exploration:

  • Neighbourhood preview of atom under mouse cursor with radius of preview sphere variable with mouse wheel .
  • Calculation of powder pattern:
    • Variation of diffraction parameters:
      • Radiation type: X-ray (laboratory, synchroton), neutron, electron,
      • wavelength,
      • LP correction,
      • 2theta range,
      • optional profile functions.
    • Diffraction diagram (styles, colors and line weights can be configured).
    • Table of reflection parameters with zoom in/zoom out and tracking through 2theta range.
  • Calculation of distances and angles (incl. standard uncertainties):
    • in a configurable table, for selected atom types and a sizeable distances range,
    • around the atom(s) currently selected in structure picture.
    • Graphical representation of distances as histogram with color-coded distances.
  • Measuring of distances, angles, and torsion angles interactively (incl. standard uncertainties).
  • Measuring of extended geometric features (incl. standard uncertainties):
    • Angle between two planes (by hkl or (best) plane through 3 or more atoms),
    • angle between two lines,
    • angle between a normal of a plane and a line,
    • distances of atoms from a plane or a line,
    • centroid of a set of atoms,
    • planarity or linearity of a set of atoms (distances of constituent atoms from plane/line).
  • New Properties pane, displays information about:
    • Contents of the structure picture (how many created atoms, bonds, polyhedra, etc.),
    • the current "formula sum", that means the number of created atoms associated to atom groups,
    • Info about the object that is selected in the structure picture or in the (optional) table above the properties pane, e.g. info about an atom of the parameter list,
    • Table of the currently selected objects,
    • Distances around the selected atom(s),
    • Distances between the selected atoms,
    • The center of the selected atoms (centroid),
    • The planarity or linearity of the selected atoms and the deviations of the atoms from that plane or line, rsp.,
    • Table of atoms assigned to the selected atom of parameter list or selected atom group,
    • Table of bonds assigned to the selected bond group (i.e. atom group pair),
    • Ligand, edges, and faces informations of the selected polyhedra.
    • Dirichlet domain of a selected atom site.
    • Neighbouring atoms and vertices of a selected Voronoi polyhedron.

System requirements

To install and run Diamond Version 4.0 or higher, you should have the following system requirements:
  • Personal Computer with Microsoft Windows XP, Windows Vista, Windows 7, Windows 8/8.1 or Windows 10 operating system (note: does not run with Windows RT)
  • Microsoft Internet Explorer 8 or higher
  • Intel or AMD (or compatible) processor  with "x86" instruction set
  • 1 GB of RAM
  • 3.8 GB of free disk space (6 GB during installation procedure, for unpacking of Crystallography Open Database)
  • Graphics resolution of 1024 x 768 pixels with 32,768 colors ("High Color") or higher (1280 x 800 pixels or more recommended)
  • DVD-ROM drive (for installation from DVD)
  • Microsoft-compatible mouse 
 
위 상품과 관련된 상품이 없습니다.
 
고객상품평은 개인적인 소견을 담은 내용으로써 사실과 다르거나 보는 사람에 따라 차이가 있을 수 있으며..
관리자에 의해서 부합되지 않은 상품평은 삭제될 수도 있습니다.
아직 작성된 상품평이 없습니다.
 
 
제품을 구입하시는데 있어 궁금하신사항이 있으시면 문의를 남겨주세요.
고객님들께서 보다 안정적이고 쉽게 상품을 구입할 수 있도록 최선을 다하겠습니다.
해당 상품의 질문이 없습니다.
 
 
구입제품의 이상이 있을 경우

- 구입후 7일 이내에 동일제품으로 교환 가능하며 운송비는 판매자 부담입니다.

- 다른 제품으로 교환, 또는 이상이 없는 제품과 함께 교환을 원하실 경우 구매자께서 운송비를 부담합니다.

----------------------------------------------------------------

구입 후 30일 이내에는 반품과 환불이 가능하나, 소프트웨어 및 Document 들, 메뉴얼이나 등록카드 등 제반 내용물들이 손상되지 않아야 하며, 사용 흔적이 없어야 합니다.



반품 요청서를 작성하시어 당사로 팩스나 우편으로 보내주시면, 당사는 확인 후 반품 승인 번호를 통보 드립니다.

고객께서는 이 반품 승인 번호를 반드시 수령하신 후 반송 바랍니다. 반품 승인 번호가 없는 반송은 받지 않습니다.

반송은 택배나 등기우편으로 보내셔야 하며, 운임은 고객의 부담입니다.

반품 해당 금액의 다른 제품으로 교환 하시거나 해당 금액을 구매 고객 명의 은행 구좌를 통해 입금 해드립니다.

두번 이상의 반품은 불가하며, 반송 제품에 하자가 있는 경우에는 반품이 불가하오니 양지하시기 바랍니다.

반품결정 → 반품요청서 송부 → 반품 승인번호 수령 → 반송 → 제품의 이상 유무 확인 → 교환 또는 환불

절차와 제품에 하자가 없는 경우 24 시간 이내 완료





구입제품의 이상이 있을 경우 (색상,사이즈,다른상품교환

- 구입후 7일이내 교환 가능하며 구매자께서 운송비를 부담합니다.



!! 주의사항

비닐포장 및 Tag의 폐기 또는 훼손 등으로 상품 가치가 멸실된 경우에는 제한.

반품시에 해당 사은품이 있을 경우 같이 보내주셔야 합니다.
 
결제후 2~5일 이내에 상품을 받아 보실 수 있습니다.(재고 소진시 2주)

한진택배를 통하여 신속하고 안전하게 배송됩니다.

5만원 이상 구입시 무료배송입니다.

(제주도를 포함한 도서,산간지역은 항공료 또는 도선료가 추가됩니다.)
 
결제방법은 신용카드, 국민/BC(ISP), 무통장입금, 적립금이 있습니다.

정상적이지 못한 결제로 인한 주문으로 판단될 때는 임의로 배송이 보류되거나,주문이 취소될 수 있습니다.

상담시간    평일 09:00 ~ 18:00 토요일,일요일,공휴일 휴무 호스팅사업자:https://www.cafe24.com/
상담 및 문의전화    02-711-3631/3 ( smhan@sigmasoft4u.com )

상호 : 시그마소프트   |   (우)04366 서울특별시 용산구 원효로 128(원효로3가,원효로오피스텔 1306호)
사업자등록번호 : 106-08-67756   |   통신판매업신고 : 제2008-서울용산-0987호
대표 : 한상민   |   개인정보 관리책임자 : 한상민   |   개인정보 보호기간 : 회원탈퇴시
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