작성일 : 10-12-16 10:26
[Software] [Tripos] SYBYL-X 1.2 업데이트
조회 : 9,484
SYBYL의 새로운 업데이트 버전인 SYBYL-X 1.2가 출시 되었습니다.
SYBYL-X는 보다 편리해진 인터페이스와 기능을 제공하며 Linux 버전과 Windows XP 버전을 지원합니다.
이번 1.2 업데이트는 SYBYL-X 1.1.2에서 발견된 몇 가지 오류 수정 및 아래와 같은 변화들을 포함합니다.
• SYBYL-X 1.2 includes new features to support Surflex v.2.51 from BioPharmicsIT.
• Use placed fragments to guide the docking run. Fragments may be obtained from a collection of
protein-ligand complexes. Associated parameters can be specified within a dialog, and visual elements
assist in fragment selection.
• Include protein flexibility to let the active site to adapt its conformation to each of the docked ligand
poses. Protein movement can be limited to protons, hydroxyls and thiols.
• Obtain a similarity score between each docked ligand pose and a reference structure.
• The Results Browser has been updated to provide access to additional features:
• Listing in sortable columns of Surflex-Dock score values, similarity to a reference structure (if provided),
and RMSD to the closest placed fragment (if any were used).
• Two sets of scores if the docking run included protein flexibility or an optimization step.
• Extensive control over the selection of results to be saved for further exploration.
QSAR Project Manager
• The new QSAR Project Manager streamlines the organization of QSAR datasets, QSAR models, and QSAR
predictions. It supports combinatorial model creation.
• A workflow facilitates the import of structures and data, the specification of descriptors, the generation
and analysis of models, and predictions based on those models. Already supported are the creation and
analysis of CoMFA models, with additional capabilities to be added in future releases.
• The QSAR Project Manager is accessed via Applications > QSAR Tools on the SYBYL-X menubar.
SYBYL and Benchware 3D Explorer
• SYBYL can read and write structure files in Benchware 3D Explorer format to support easy transfer of
information between applications.
Easy Access to Functionality
• Right-click menus associated with atoms and surfaces have been expanded to provide fast access to more
• Right-click in the SYBYL-X console to select the font type and size for all text in the console and system
Ligand Preparation Tool
• Includes promiscuous compound filters published by Jonathan Baell and Georgina Holloway in J. Med. Chem.
2010, 53, 2719-2740.
• All options that generate a preferred tautomer have been improved to produce the ionization state at pH 7.
Customizing the SYBYL Toolbars
• SYBYL includes 10 built-in toolbars. To these you may add one or more of your own and place existing or
custom-built commands on any toolbar to suit your own needs. All customization functionality is accessible
from a single dialog.
Location of UNITY Search Jobs
• The location of the job directory can be specified at run time. It can also be specified via a Tailor variable
in the user’s startup file.
• The building of topomers is now based only on heavy atoms and produces better alignment of similary
아래의 링크를 통해 프로그램 다운로드가 가능합니다.
SYBYL-X 1.2 다운로드