... OPLS-AA topology generation is a very complex task because of huge amount of the atomtypes described this force field. ... TPPMKOP is an utility developed for the automatic topology generation working well with OPLS-AA force field. ... This database is continually upgrading by our research group. ... OPLS-AA patch for different types of molecules ERG Research Group: Лаборатория теоретической биофизики написал (Февраль 8th, 2016 4:27 дп) . ... All-atom automatic OPLS-AA topology generator . ...

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• gromacs ERG Research Group: Лаборатория теоретической биофизики
• Nanotubes generating script for PyMol ERG Research Group: Лаборатория

All Firefly versions can take optional command line arguments. ... firefly [optional command line options in any order] [optional list of working directories] . ... The list of most widely used command line options is given below: . ... Disables validity check of the command line arguments (e.g., check for valid names of files and directories, etc...) passed to Firefly. ... However, if this option is not given, one must provide the list of working directories when running Firefly in parallel mode. ...

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• PC GAMESS/Firefly DOCUMENTATION - Cube files
• Firefly/PC GAMESS DOCUMENTATION - NEW MP2 GRADIENT CODE

... Recommended values . Start word length . Start length of motiff for Multiple sequence alignment. ... Max N Mismatches . ... Min score . ... Gap parameter . This parameter defines gap scoring. the grater this value is the stronger gap will be panalysed . ... If inforation content of a column is less than given value the column should be not included into alignment. the grater this value is the stronger gap will be panalysed . ... Max loop . Max energy of a helix . ... cgcatagctc cacca . ...

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• SDPsite - Algorithm Format requirements

... 3D magnetosphere . ... Data . ... Magnetosphere . ... Magnetic field at the selected point Module of the Magnetic field distribution along Sun-Earth line Noon-Midnight magnetosphere structure . ... Point coordinates, where magnetic field will be calculated: . ... Magnetic field at MD outer edge . ... Magnetic field at TC inner edge . ... Distance to external edge of MD . ... Distance to inner edge of MD . ... Magnetopause stand-off distance . ... Distance to inner edge of geotail current sheet . ...

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• SWX - Космическая погода
• SWX - Главная
• SWX - Прогноз Dst

... A new method is proposed that makes it possible to determine the parameters of the three-dimensional (3D) multiwell potential of off-center atoms from extended X-ray absorption fine-structure (EXAFS) data. ... The parameters of the multiwell potential for Ge atoms in the Sn 1-x Ge x Te solid solution as functions of temperature and composition (77<T<300 K, x>0.4) were obtained in the classical approximation. ...

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• New methods of measuring photoelectric parameters of silicon
• Effect of hydrostatic pressure on phase transitions in perovskite-like
• Local field and optical second harmonics generation in polar Langmuir-Blodgett

M.H. Shulman, 2006 Michael H. Shulman TIME AND QUANTUM BEHAVIOR The paper presents an abstract of my talk at the Russian Interdisciplinary Temporology Seminar (23 of May, 2006th ). ... The following statements are argued: · The World time-space structure including its relativistic features are due to the quantum object features. Thanks to de Broglie we understood that each quantum object corresponds with some wave. ... A mathematic "exotics" of the quantum physics consists in two components. ...

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• Laboratory-chair of Discrete mechanics on a microscopic scale
• CHAPTER 1. PHYSICS
• O.S.Razumovsky. Models of Time in Physics and Cosmology

... Data . ... Services . ... Solar energetic particles . ... N -d SW Conditions : Time profiles of the key geomagnetic ( Ap and Dst indices), solar wind (velocity V , density n and temperature T ) and IMF ( B , Bx , By , Bz in GSM) parameters observed in the N day vicinity of the geomagnetic disturbed day. N -d Map of Solar Events : Map of solar surface events occurred within N day vicinity of the moment when the solar wind expansion (which causes the geomagnetic event) started. ... WIND . ...

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• COSRAD model - Space monitoring data center
• Paraboloid model of the Earth's magnetosphere - Space monitoring data center
• AP8/AE8 model - Space monitoring data center

... The molecular structure of bicyclopentyl was established by gas electron diffraction, and it is compared with that calculated previously by molecular mechanics (MM3) and currently by ab initio methods (6-31G*). ... Comparisons are made with conformations of similar bicyclic (bicyclopropyl, bicyclobutyl and bicyclohexyl) and open-chain (sym-tetramethylethane) compounds. ... Laboratory of Electron Diffraction ...

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• On The Force Field Parameters For Metal Ion Coordination Sphere in Molecular
• Molecular Structure and Physicochemical Properties of Acetone-Chloroform...
• Molecular mechanics calculations of beta-diketonate, aqua, and

S .. ... a database of structures of DNA-protein and RNA-protein complexes. ... a program for finding hydrophobic clusters in 3D structures of macromolecules . ... search of conserved hydrophobic clusters in aligned 3D structures of protein families . ... a program for analysis of multiple alignments . ... a program for automatic detection of aligned blocks in a multiple protein alignment. ... a program for detection of aligned blocks in a multiple alignment of sequences of PDB chains. ...

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• Hydrophobic clusters
• HF clusters: algorithm
• SDPpred

... Let the control system be given by the equation dx = X (x, u) = X, u U, dt where X is a vector field on the configuration space M , x M , u is the control parameter, U is the set of admissible values of u. With the vector field X we canonically associate a scalar-valued fiberwise linear function HX on the cotangent bundle T M , HX ( , u) = , X ( , u) , T M , u U, where : T M - M is the canonical pro jection. ...

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Chiral symmetry and form factors of neutrino-nucleon interactions. Kanshin Kirill Vereshkov Grigory Southern Federal University, Russia QFTHEP '11, Sochi 24th Sept.­ 1st Oct. ... The united theory of leptonnucleon interactions · Neutrino Charged Currents · Neutrino Neutral Currents Kanshin K., Vereshkov G. Southern Federal University, Russia Page 2 Chiral symmetry and form factors of neutrino-nucleon interactions. ... It is based on meson dominance and chiral symmetry of strong interactions. ...

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• http://qfthep.sinp.msu.ru/talks2013/QFTP-2013_Bodnya__Derkach__Kovalenko__Puchkov__Feofilov1.pdf
• http://qfthep.sinp.msu.ru/talks/pr_Gamzova.pdf
• http://qfthep.sinp.msu.ru/talks2015/1435428787_meloniQFTHEP.pdf

Non -- homogeneous zero -- range interaction processes Dmitri Khmelev \Lambda Eugene Spodarev y Abstract In this r'esum'e we formulate the results concerning the limiting behaviour (as time t !1) of a non--homogeneous zero--range interaction particle system. ... One can describe the state of the system by process j(t) = (j i (t); i 2 J) ; t – 0; where j i (t) is a number of particles in cell i at time t. Denote fl = P i2J fl i џ 1. ... 1 and denote ae max = 1=(sup i2J ъ i =fl i ). ...

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• http://www.philol.msu.ru/~lex/khmelev/local/ijnabs2.ps
• HumLang: Polikarpov A.A.- Menzerath's Law for Morphemic Structures of Words:A
• MSU-LGCLL:: O.V. Kukushkina, A.A. Polikarpov, D.V. Khmelev - Authorship

... The RADEN data bank produced at the Department of Chemistry of Moscow State University is designed as well to accumulate published information on radiative parameters of diatomic molecules, as to analyse it and recommend the more reliable values. ... electronic transition moments D ( R ); . ... dipole moments, . ... FACTUAL RECOMMENDED DATABASE contains now the ab initio and experimental electronic transition moments for more than 250 band systems which belong to more than 100 diatomic molecules. ...

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... 7, 10253, 2005 SRef-ID: 1607-7962/gra/EGU05-A-10253 © European Geosciences Union 2005 Enhanced detoxifying ability of the specifically oxidized humic derivatives with respect to copper V.A. Kholodov (1), N.A. Kulikova (1), G.F. Lebedeva (1), A.N. Kovalenko (2) and I.V. Perminova (2) (1) Department of Soil Science ... Experimental Section Humic materials used; methods of their oxidation and characterization. ... Toxicity of copper was estimated using seedling technique. ...

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• http://www.mgumus.chem.msu.ru/publication/2009/2009-philippova-biological.pdf
• MGUMUS -- Current projects

Structure of the supersmall satellites . Scientific equipment . Supersmall satellite "Universitetskiy" is manufactured by Production Corporation "Polyot" (Omsk, Russia) in the interests of Lomonosov Moscow State University. Supersmall satellite "Kompas-2" is a pilot project of multi-satellite system which is intended for prediction and motnitoring of natural and technologenical disasters. ... Composition of the scientific equipment of the "Universitetskiy" satellite. ...

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... Applications of Molecular Mechanics to Metal Complexes" . ... Molecular mechanics study of the mixed-ligand lanthanide complexes using Gillespie-Kepert model . ... Within MM-GK, the same parameters are applicable to complexes of different coordination numbers/polyhedra. ... Gillespie-Kepert model . ... Using derived computational parameters, we calculated the geometry of 39 lanthanide ion nonaaqua complexes, 6 octaaqua complexes and 18 beta- diketonate and aqua-beta-diketonate complexes. ...

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Status of the project NICA / MPD at JINR A.N.Sissakian, A.S.Sorin Scientific Workshop dedicated to the centenary of V.I.Veksler's birth and the 50th anniversary of launching the Synchrophasotron JINR , Dubna, October 10 - 12, 2007 heat compression NI CA FAIR GSI, NICA JINR NICA goals and physics problems Study of in-medium properties of hadrons and nuclear ...

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• http://nuclphys.sinp.msu.ru/conf/lpp14/210809/MANGAZEEV.pdf
• http://nuclphys.sinp.msu.ru/mirrors/2000_2.pdf
• http://nuclphys.sinp.msu.ru/conf/epp10/Lukin.pdf

Atom subtypes present in protein structures: introducing dynamic atom similarity measure. ... St.Petersburg, 199034, Russia, gm2124@mail.ru Keywords: Atom subtypes, covalent bond lengths, protein structure. ... The cause of this issue is purely combinatorial, because if we treat each of the 20 aminoacids' heavy atoms as being of its own subtype, that leaves us with 167 different atom types, which in turn gives thousands of parameters to estimate even in a simple case of two atom interactions. ...

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• http://mccmb.belozersky.msu.ru/2015/proceedings/abstracts/16.pdf
• http://mccmb.belozersky.msu.ru/2013/abstracts/abstracts/26.pdf
• http://mccmb.belozersky.msu.ru/2015/proceedings/abstracts/24.pdf

log . ... Sat, 26 Mar 2011 02:18:36 +0300 . boris (kodomo) . ... Daniil Alexeyevsky . ... Typo in allpy.fileio.write_strings . ... Fri, 25 Mar 2011 23:12:21 +0300 . ... Automated merge with ssh://kodomo/allpy . Thu, 17 Mar 2011 17:48:37 +0300 . ... Wed, 16 Mar 2011 22:50:50 +0300 . ... Mon, 28 Feb 2011 22:40:16 +0300 . ... allpy.processors: make temporary files named . Tue, 01 Mar 2011 00:17:13 +0300 . boris . ... Updated allpy/data/codes.py from fresh components.cif . ...

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• allpy: 8ca932b9e951
• allpy: 8ca932b9e951 allpy/markup.py

This module provides for forensic logging of the requests made to the server . ... Logging is done before and after processing a request, so the forensic log contains two log lines for each request. ... Module: mod_log_forensic . ... Each log entry is assigned unique ID which can be associated with the request using the normal CustomLog directive. mod_log_forensic creates a token called forensic-id , which can be added to the transfer log using the %{forensic-id}n format string. ...

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• Apache module mod_negotiation
• Apache module mod_isapi
• Running a High-Performance Web Server for BSD