






                     CAOS/CAMM Center - Dutch Expertise Center
                          for Computer Assisted Chemistry


            _A_d_d_r_e_s_s:
               CAOS/CAMM Center
               Faculty of Science
               University of Nijmegen
               Toernooiveld
               6525 ED NIJMEGEN, The Netherlands

            _E_m_a_i_l: post@caos.caos.kun.nl

            _P_h_o_n_e: +31 80 653386
               FAX: +31 80 652977

            _D_e_s_c_r_i_p_t_i_o_n

            The CAOS/CAMM Center is the Dutch National Expertise  center
            for   Computer  Assisted  Chemistry,  funded  by  the  Dutch
            National Science Foundation NWO. It is an Academic  Institu-
            tion and it offers chemists an elaborate package of software
            tools, for remote use on a "central" computer system.

            The emphasis is  on  easy  accessibility,  achieved  by  the
            application of menu controlled front-ends and interfaces and
            on integration of the various tools and data bases. An exam-
            ple of the latter is the interconversion of molecular struc-
            ture files between structural databases,  modeling  software
            and  computational  chemistry programs.  All available tools
            are presented to the user in a hierarchy  of  simple  menus,
            where the tools are arranged according to their application.
            The Center supports its users through a combination  of  on-
            line    Help   facilities,   practical   courses   and   the
            (re)production of manuals.  E-mail facilities, NEWS and Con-
            ferencing systems are used to improve the exchange of infor-
            mation  and  experience  among  the  users,  including   the
            Center's picstaff.

            All tools and programs are arranged  in  packages,  covering
            four major chemical areas:

            _________________________
            The information in this section is provided  in  accor-
            dance  with the copyright notice appearing at the front
            of this guide.




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               A:  CAOS (Computer Assisted Organic Synthesis)
                   Available tools are Reaction  Retrieval  Systems  and
                   Fine directories and Synthesis Planning programs.

               B:  CAMM (Computer Assisted Molecular Modeling)
                   Available tools are 3-D Structural data bases  and  a
                   variety of modeling programs.

               C:  CompChem (Computational Chemistry)
                   Available tools are Advanced modeling programs, visu-
                   alization  tools,  the  quantum  chemistry literature
                   database and computational tools for  both  Molecular
                   Mechanics/Dynamics and Quantum Chemical calculations.

               D:  Area   CAMMSA   (Computer   Assisted   Macromolecular
                   Sequence Analysis; BioInformatics)
                   Available tools are all major nucleic acid  and  pro-
                   tein  sequence  data bases and programs for data base
                   query  and  retrieval,  homology  searching,  protein
                   analysis, nucleic acid analysis, alignment and phylo-
                   geny construction.

            Expert help is available on each of the systems supported by
            the  Center.   All  data  bases  supported by the Center are
            updated on a daily,  weekly,  monthly  or  quarterly  basis,
            dependent  on the rate with which new material is being pro-
            duced and available. User interaction with  the  tools  sup-
            plied  is fully structure oriented whenever applicable, i.e.
            most input is by means of structural formulas to be drawn on
            the  screen and output is structure oriented where appropri-
            ate.

            It is the Center's policy to provide users with all documen-
            tation that is available with a program or data base, and to
            complement this information with on-line  Help,  with  extra
            manual and "introductions" where necessary and with document
            files  in  a  central  document  directory  from  which  all
            material can be down loaded.

            _N_e_t_w_o_r_k _A_c_c_e_s_s

            Access to the Center is possible in many different ways. The
            route  to be chosen will depend on a user's local situation.
            Many routes connect to the Center's terminal  servers  which
            will distribute incoming calls over the available resources.

               1. DECnet.  Only possible if you are setting up the  con-
                           nection  from a local VAX in The Netherlands.



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                           Use the command SET HOST CAOS

               2. TCP/IP   Available if your local machine has access to
                           Internet.  (In principle world wide).

                           Use the command TELNET
                              caos1.caos.kun.nl(131.174.82.227) or
                              caos2.caos.kun.nl(131.174.82.228)

               3. X.25     In principal available world  wide  when  you
                           have  access to an X.25 packet switching net-
                           work.

                           "Dial" number (0)204 18802008099  or  if  you
                           are  in  Europe  and  have  access to the IXI
                           backbone (0)204 3044008699.  This  connection
                           is  slower  than  routes 1 and 2 because they
                           use a 9.6 kb PAD. On response  from  the  PAD
                           answer with a <return> to connect to a termi-
                           nal server which will  prompt  with  <Local>.
                           Type  C(onnect)  CAOS  in response to be con-
                           nected to one of the Center's nodes.

            _W_h_o _C_a_n _U_s_e _T_h_e _R_e_s_o_u_r_c_e

            Use of the Center's  resources  is  open  for  all  chemists
            employed by Dutch Chemical Research institutions, and as far
            as the Center's resources allow, for users outside  Holland.
            Currently sufficient resources available.

            Access is only possible at a  subscription  basis.  Requests
            for  a  Userid  and a Password should be mailed to the above
            e-mail address.

            A subscription includes:

               o+  a maximum of 2 simultaneous interactive processes

               o+  free use of all CAOS/CAMM utilities for  e-mail,  NEWS
                  bulletin boards, downloading, plotting, etc.

               o+  10 MB free disk space (additional space will cost Hfl.
                  500,- per 5 MB/year).

               o+  NO additional charges (i.e. free CPU use etc.)

            Current subscription rates are:




            September 7, 1992           NNSC        Section M.9,  Page 3








            Hfl. 1500/year for each of the packages A,B and C  mentioned
            above.
            Hfl. 2250/year for package D.

            A reduction is applied for combinations of packages;
            Hfl. 2625/year for any two packages and Hfl. 3000  for  more
            than 2.

            For accounts opened after July 1st., the charge will be  50%
            of the yearly fee.

            Subscriptions are automatically renewed  for  another  year,
            unless  the  Center receives written (e-mail) notice of can-
            cellation before November 1st.

            All prices quoted above refer to Academic  accounts  in  The
            Netherlands.   Not-for-profit  organizations pay a surcharge
            of 25%, as do Academic Institutions abroad.  For  commercial
            companies,  individual licenses have to be negotiated on the
            basis of each software tool requested.

            _M_i_s_c_e_l_l_a_n_e_o_u_s

            Short (1 week) trial accounts may be granted on request,  at
            the  Center's  discretion.  E-mail  requests  to the address
            above.

            _R_e_f_e_r_e_n_c_e_s

            GOPHER access to Service description at
               camms1.caos.kun.nl(131.174.82.237)




















            September 7, 1992           NNSC        Section M.9,  Page 4


